SCHEMBL1608203

SCHEMBL1608203

COc1cc2cc(C(=O)O)sc2cc1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.67
STING1 Q86WV6 18/20 0.65
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL10643495 0.94 GPR35 (0.67) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL1589579 0.88 STING1 (0.68) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL29636380 0.84 HDAC3 (0.73) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL12723471 0.84 HDAC3 (0.73) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL10646593 0.83 GPR35 (0.61) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL20022275 0.83 STING1 (0.71) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL20022241 0.83 STING1 (0.66) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL29636398 0.83 STING1 (0.71) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL20022272 0.81 STING1 (0.68) GPR35STING1HDAC3HDAC4HDAC1
SCHEMBL29636418 0.81 STING1 (0.68) GPR35STING1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 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 (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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 GPR35 1268/4885STING1 4828/4885HDAC3 2169/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 GPR35 889/4885STING1 4840/4885HDAC3 2579/4885

“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.