SCHEMBL21857967

SCHEMBL21857967

NCCCNc1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.54
▸ FABP4 P15090 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ MAPK14 Q16539 1/20 0.54
▸ NR4A1 P22736 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ SCN1A P35498 2/20 0.44
▸ SCN2A Q99250 2/20 0.44
▸ SCN3A Q9NY46 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KAT2B Q92831 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL8514648 0.91 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30950399 0.91 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL21725437 0.80 TTR (0.60) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL27459951 0.79 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL9489907 0.79 CYP3A4 (0.48) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10882233 0.79 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL3036841 0.79 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10478980 0.79 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29018091 0.75 CA12 (0.47) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30461559 0.75 CA12 (0.47) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-09-03 — — US claimed
WO-2020081852-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-04-23 — — WO claimed
US-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-09-03 — — 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-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE PPP5C, MTMR1, PPM1G TTR 1675/4885FABP4 1510/4885CCNA2 3763/4885

“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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