SCHEMBL2071092

SCHEMBL2071092

NC(=S)c1ccc(OC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.70
▸ KDM4E B2RXH2 4/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ HSD17B10 Q99714 4/20 0.65
▸ POLB P06746 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ KDM4C Q9H3R0 2/20 0.48
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL9153922 0.85 ALDH1A1 (0.73) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL9150565 0.84 KDM4E (0.71) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL8601506 0.83 MAPT (1.00) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL8654938 0.82 MAPT (0.77) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL9150151 0.82 KDM4E (0.77) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL8652431 0.82 KDM4E (0.77) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL8605462 0.82 ALDH1A1 (0.77) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL9150180 0.81 ALDH1A1 (0.84) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL9150050 0.81 ALDH1A1 (0.89) MAPTKDM4EALDH1A1HSD17B10POLB
SCHEMBL5815576 0.80 CYP1A2 (0.59) ALDH1A1POLBMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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

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-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST MAPT 2229/4885KDM4E 422/4885ALDH1A1 388/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC MAPT 3407/4885KDM4E 739/4885ALDH1A1 572/4885

“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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