SCHEMBL10045888

SCHEMBL10045888

CC(C)(C)OC(=O)c1ccccc1OC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ CTSS P25774 3/20 0.36
▸ CTSK P43235 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TACR1 P25103 1/20 0.33

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
SCHEMBL12893341 0.92 PPARA (0.42) PPARGPPARAPPARDCTSSCTSK
SCHEMBL10045911 0.81 ITGA4 (0.38) ITGA4ITGB7AAK1KMT2A
SCHEMBL10045871 0.77 KMT2A (0.46) KDM4EHSD17B10MEN1HPGDKMT2A
SCHEMBL12779903 0.71 CTSK (0.34) CTSKAAK1MEN1KMT2ACYP1A2
SCHEMBL6723581 0.70 ELANE (0.44) KDM4EHSD17B10MEN1HPGDKMT2A
SCHEMBL4731573 0.70 HSD17B10 (0.63) KDM4EHSD17B10MEN1HPGDKMT2A
SCHEMBL642837 0.69 ELANE (0.43) KDM4EHSD17B10HPGDKMT2ALMNA
SCHEMBL24073320 0.69 SYK (0.54) PPARACTSSCTSK
SCHEMBL7290254 0.69 CTSK (0.54) PPARACTSSCTSK
SCHEMBL1282947 0.68 HSD17B10 (0.50) KDM4EHSD17B10HPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 — — US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 — — US disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 — — US disclosed
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-04-28 — — US disclosed
US-7910568-B2 Inflammatory bowel disease, irritable bowel syndrome, Crohn's disease, ulcerative colitis, gastrointestinal disorders; prevention/treatment of colon cancer; releases hydrogen sulfide ANTIBE THERAPEUTICS INC. (CA) 2011-03-22 — — US disclosed
US-7879827-B2 such as 5-amino-2-(2-Acetylamino-3-mercapto-propionyloxy)-benzoic acid, useful for the treatment of gastrointestinal disorders such as inflammatory bowel disease and irritable bowel syndrome, and for the prevention/treatment of colon cancer ANTIBE THERAPEUTICS INC. (CA) 2011-02-01 — — US disclosed
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2009-09-17 — — US disclosed
US-7498355-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2009-03-03 — — US disclosed
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid ANTIBE THERAPEUTICS INC. (CA) 2008-08-28 — — US disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 — — US disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 — — 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 (5 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-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ITGA4 2052/4885ITGB7 3176/4885EPHX2 1216/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST ITGA4 1519/4885ITGB7 3530/4885EPHX2 1640/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ITGA4 2052/4885ITGB7 3176/4885EPHX2 1216/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ITGA4 2052/4885ITGB7 3176/4885EPHX2 1216/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC ITGA4 2052/4885ITGB7 3176/4885EPHX2 1216/4885

“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.

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