SCHEMBL6400714

SCHEMBL6400714

OC(=S)c1cc(F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
DHFR P00374 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CXCL12 P48061 1/20 0.43

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
SCHEMBL2949445 0.82 CA9 (0.50) MAOBCA3CA6CA5ACA9
SCHEMBL29759451 0.77 ACMSD (0.66) MAOBCA9CA14ALDH1A1KDM4E
SCHEMBL130520 0.77 ACMSD (0.66) MAOBCA9CA14ALDH1A1KDM4E
SCHEMBL6715407 0.76 CA12 (0.60) MAOBCA9CA14ALDH1A1KDM4E
SCHEMBL27405095 0.76 ACMSD (0.64) MAOBCA9CA14ALDH1A1KDM4E
SCHEMBL10512115 0.75 AR (0.42) MAOBCA3CA6CA5ACA9
SCHEMBL9587458 0.74 CES2 (0.58) CA3CA6CA5ACA9CA14
SCHEMBL11449961 0.73 ERN1 (0.42) CA9CA14ALDH1A1KDM4EMEN1
SCHEMBL6401692 0.73 CA1 (0.63) MAOBALDH1A1MEN1USP2CA1
SCHEMBL3187690 0.73 CSNK2A1 (0.63) ALDH1A1KDM4EMEN1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
US-20050119237-A1 Non-malignant disease treatment with Ras antagonists RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 2005-06-02 US disclosed
EP-1187605-A4 NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS THYREOS CORP (US) 2004-05-26 EP disclosed
US-6462086-B1 SUCH AS FARNESYLTHIOSALICYLIC ACID; INHIBITING PROLIFERATION OF T-CELLS; DIABETES, LUPUS, MULTIPLE SCLEROSIS; GRAFT REJECTION INDUCED BY FOREIGN ANTIGENS; CIRRHOSIS, RESTENOSIS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2002-10-08 US disclosed
EP-1187605-A1 NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS Thyreos Corporation (US) 2002-03-20 EP disclosed
WO-2000078303-A1 NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS THYREOS CORPORATION (US) 2000-12-28 WO 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 (2 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-20050119237-A1 Non-malignant disease treatment with Ras antagonists RSU1, KSR1, KRAS MAOB 3398/4885CA3 4458/4885CA6 4075/4885
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 MAOB 1849/4885CA3 4885/4885CA6 4691/4885

“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.