SCHEMBL64312

SCHEMBL64312

O=S(=O)(O)c1cccc(C(F)(F)F)[n+]1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8720547 0.73 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL64466 0.73 ACP1 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL14964903 0.65 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL65865 0.64 CES2 (0.36) CA1CA2MMP1ACHE
SCHEMBL795355 0.63 MEN1 (0.41) CA1CA2MMP1MMP2MMP9
Pyrogallol SCHEMBL16714223 0.59 ALDH1A1 (0.57) PTPN1CA1CA2MMP2MMP9
Pyrogallol SCHEMBL704091 0.59 ALDH1A1 (0.57) PTPN1CA1CA2MMP2MMP9
SCHEMBL30035768 0.58 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL1894783 0.58 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL14964902 0.58 TSHR (0.32) ACHETSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857452-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME OSAKA UNIVERSITY (JP) 2007-11-21 EP claimed
US-20230272272-A1 Surface Treatment Of Quantum Dots UNITED STATES DEPARTMENT OF ENERGY 2023-08-31 US disclosed
US-8207184-B2 Condensation compound between fluorinated cyclopentane ring and aromatic ring, and process for producing the same SUMITOMO CHEMICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8129400-B2 Condensation compound between fluorinated cyclopentane ring and aromatic ring, and process for producing the same SUMITOMO CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8114956-B2 Polymer having unit obtained by condensation of difluorocyclopentanedione ring and aromatic ring, organic thin film using the same, and organic thin film device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO., LTD. (JP) 2011-11-17 US disclosed
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO., LTD. (JP) 2011-09-01 US disclosed
US-8008336-B2 Forming electronic material, semiconductors SUMITOMO CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-7932347-B2 Polymer comprising unit comprising fluorocyclopentane ring fused with aromatic ring and organic thin film and organic thin film element both comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20100084640-A1 POLYMER HAVING UNIT OBTAINED BY CONDENSATION OF DIFLUOROCYCLOPENTANEDIONE RING AND AROMATIC RING, ORGANIC THIN FILM USING THE SAME, AND ORGANIC THIN FILM DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-6689766-B2 ALSO FOR TREATING MALIGNANT TUMORS, RHEUMATOID ARTHRITIS, OSTEOPOROSIS, DIABETES MELLITUS, HYPERTENSION, ALOPECIA, ACNE, PSORIASIS, DERMATITIS, HYPERCALCEMIA, HYPOPARATHYROIDISM AND METABOLIC DISORDER OF CARTILAGE. TEIJIN LIMITED (JP) 2004-02-10 US disclosed
US-6548489-B2 Also for treating malignant tumors, rheumatoid arthritis, osteoporosis, diabetes mellitus, hypertension, alopecia, acne, psoriasis, dermatitis, hypercalcemia, hypoparathyroidism and metabolic disorder of cartilage. TEIJIN LIMITED (JP) 2003-04-15 US disclosed
US-6531460-B1 Vitamin D3 derivatives TEIJIN LIMITED (JP) 2003-03-11 US disclosed
US-20020132799-A1 Vitamin D3 dervative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-09-19 US disclosed
US-20020103173-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-08-01 US disclosed
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-07-25 US disclosed
US-20020091109-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-07-11 US disclosed
EP-1123921-A1 VITAMIN D 3? DERIVATIVES AND REMEDIES FOR INFLAMMATORY RESPIRATORY DISEASES CONTAINING THE SAME TEIJIN LIMITED (JP) 2001-08-16 EP disclosed
US-6174628-B1 ELECTROLYTE HAS HIGH POLARITY, HIGH RESISTANCE TO OXIDATION AND FLAME RETARDANCE, AND THUS POSSESSES EXCELLENT CHARACTERISTICS AS THE ELECTROLYTE FOR ELECTRIC ENERGY GENERATORS DAIKIN INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0948073-A1 ELECTROLYTIC SOLUTION AND DEVICE FOR GENERATING ELECTRIC ENERGY THEREWITH Daikin Industries, Ltd. (JP) 1999-10-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020103173-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 PTPN1 3342/4885CA1 757/4885CA2 187/4885
US-20020132799-A1 Vitamin D3 dervative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 PTPN1 2933/4885CA1 403/4885CA2 117/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR PTPN1 3622/4885CA1 1537/4885CA2 2187/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR PTPN1 3622/4885CA1 1537/4885CA2 2187/4885
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 PTPN1 3342/4885CA1 757/4885CA2 187/4885
US-20020091109-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 PTPN1 3342/4885CA1 757/4885CA2 187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.