SCHEMBL11920072

SCHEMBL11920072

COc1ccc(-n2c(-c3ccncc3)nnc2S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 2/20 0.51
▸ GLA P06280 1/20 0.50
▸ PTGS2 P35354 1/20 0.46
▸ TNKS2 Q9H2K2 7/20 0.46
▸ TNKS O95271 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SULT2A1 Q06520 1/20 0.44
▸ NR5A1 Q13285 1/20 0.44
▸ AXIN2 Q9Y2T1 1/20 0.44
▸ AVPR2 P30518 1/20 0.43
▸ AVPR1A P37288 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL11920074 0.84 OXTR (0.48) OXTRGLAPTGS2SMN1; SMN2ALDH1A1
SCHEMBL14195568 0.79 TSHR (0.52) PTGS2MAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL11919914 0.78 OXTR (0.52) OXTRGLATNKS2TNKSMAPT
SCHEMBL11919913 0.78 OXTR (0.52) OXTRGLATNKS2TNKSMAPT
SCHEMBL11920079 0.78 OXTR (0.52) OXTRGLATNKS2TNKSMAPT
SCHEMBL11919912 0.76 TNKS2 (0.58) OXTRTNKS2TNKSMAPTSMN1; SMN2
SCHEMBL1544452 0.75 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14924998 0.72 HSP90AA1 (0.39) OXTRGLAPTGS2MAPTSMN1; SMN2
SCHEMBL5003224 0.72 KMT2A (0.39) OXTRGLAPTGS2MAPTSMN1; SMN2
SCHEMBL5008459 0.72 HSP90AA1 (0.50) ALDH1A1

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-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 OXTR 4832/4885GLA 2284/4885PTGS2 2631/4885

“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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