SCHEMBL714645

SCHEMBL714645

O=S(=O)(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPRZ1 P23471 1/20 0.48
PLCG1 P19174 1/20 0.48
KIF11 P52732 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA5A P35218 1/20 0.47
CA12 O43570 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
EPAS1 Q99814 5/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL31713539 0.82 CA2 (0.46) CA2ALDH1A1MAPK1HTTPLCG1
SCHEMBL5403737 0.80 CA2 (0.54) CA2ALDH1A1MAPK1HTTPLCG1
SCHEMBL10325976 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHTTSMN1; SMN2PTPRZ1
SCHEMBL1982098 0.80 PTGS2 (0.47) CA2LMNAMAPK1HTTSMN1; SMN2
SCHEMBL517720 0.78 ALDH1A1 (0.52) CA2ALDH1A1LMNAMAPK1HTT
SCHEMBL7937243 0.78 ALDH1A1 (0.52) CA2ALDH1A1LMNAMAPK1HTT
SCHEMBL15573782 0.77 CA2 (0.46) CA2PLCG1CA1CA9CA5A
SCHEMBL1098294 0.76 LMNA (0.50) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL8745504 0.76 CA2 (0.50) CA2ALDH1A1MAPK1HTTPLCG1
SCHEMBL6849852 0.76 CA2 (0.57) CA2ALDH1A1LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382279-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-18 US disclosed
EP-4654972-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-03 EP disclosed
WO-2025068347-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2025-04-03 WO disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 CN disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 EP disclosed
WO-2024159088-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2024-08-02 WO disclosed
US-5705570-A ACRYLATE POLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-01-06 US disclosed
US-5672760-A OBTAINING A PHOTOABSORBER-CONTAINING ACRYLIC POLYMER BY USING N-2-HYDROXYETHYL-N-ETHYL ANILINE TO OBTAIN 4-((2-HYDROXYETHYL)ETHYLAMINO)-4'-(TRIFLUOROMETHYLSULFONYL)-TOLANE WHICH REACTS WITH A POLYMERIZABLE METHACRYLIC ACID INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-09-30 US disclosed
EP-0683172-B1 11,21-Bisphenyl-19-norpregnane derivatives AKZO NOBEL NV (NL) 1997-08-13 EP disclosed
US-5620966-A ANTIGLUOCORTICOID ACTIVITY AKZO NOBEL N.V. (NL) 1997-04-15 US disclosed
EP-0683172-A1 11,21-Bisphenyl-19-norpregnane derivatives Akzo Nobel N.V. (NL) 1995-11-22 EP disclosed
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
WO-1994006783-A1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
US-4021561-A ANTIPSYCHOTICS MERCK & CO., INC. (US) 1977-05-03 US 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 (4 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 CA2 3641/4885ALDH1A1 1488/4885LMNA 1449/4885
US-20250382279-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 CA2 1779/4885ALDH1A1 2935/4885LMNA 2010/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 CA2 4628/4885ALDH1A1 411/4885LMNA 3406/4885
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 CA2 2505/4885ALDH1A1 1521/4885LMNA 3816/4885

“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.