SCHEMBL7126734

SCHEMBL7126734

NCCCOc1cccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.36
HTR1A P08908 12/20 0.35
HTR7 P34969 12/20 0.35
F2 P00734 3/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
ITGAV P06756 1/20 0.33
ESR1 P03372 1/20 0.32
CYP19A1 P11511 1/20 0.32
ESR2 Q92731 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
Hydrochloric Acid SCHEMBL7250173 0.99 HTR1B (0.36) HTR1BHTR1AHTR7F2ITGB3
SCHEMBL7132422 0.94 TP53 (0.37) HTR1BHTR1AHTR7ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7128146 0.93 TP53 (0.39) HTR1BHTR1AHTR7ITGB3ITGA2B
SCHEMBL7127764 0.90 HTR1A (0.35) HTR1AHTR7ESR2
SCHEMBL7125660 0.89 KCNA3 (0.40) HTR1AHTR7
SCHEMBL7126737 0.88 HTR1B (0.37) HTR1BHTR1AHTR7F2ITGB3
SCHEMBL7130672 0.87 KDM4E (0.41) HTR1BHTR7ESR1
Hydrochloric Acid SCHEMBL7250166 0.87 HTR1B (0.36) HTR1BHTR1AHTR7F2ITGB3
SCHEMBL7131947 0.86 ALDH1A1 (0.44) HTR1BHTR7ESR1
SCHEMBL7159386 0.85 HTR1A (0.37) HTR1AHTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US claimed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 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 (1 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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient TPMT, CD47, THPO HTR1B 4838/4885HTR1A 4841/4885HTR7 4853/4885

“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.