SCHEMBL21857610

SCHEMBL21857610

NCCNc1cccc2cccc(S(=O)(=O)Oc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HTR6 P50406 6/20 0.43
▸ TTR P02766 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ NR4A1 P22736 1/20 0.39

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
SCHEMBL21857984 0.85 CA9 (0.42) CA9CA12CA3CA4CA6
SCHEMBL21857932 0.79 CA12 (0.41) CA9CA12CA3CA4CA6
SCHEMBL30950399 0.78 TTR (0.56) CA9CA12CA3CA4CA6
SCHEMBL8514648 0.78 TTR (0.56) CA9CA12CA3CA4CA6
SCHEMBL29018091 0.77 CA12 (0.47) CA9CA12CA3CA4CA6
SCHEMBL30461559 0.77 CA12 (0.47) CA9CA12CA3CA4CA6
SCHEMBL1458540 0.75 CA1 (0.43) CA9CA12CA4CA6CA5A
SCHEMBL9635973 0.71 KMT2A (0.47) ALDH1A1HSD17B10TSHRCDK2CYP3A4
SCHEMBL21857967 0.70 TTR (0.54) CA9CA12CA3CA4CA6
SCHEMBL30842291 0.69 CA12 (0.56) CA9CA12CA3CA4CA6

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 CA9 4553/4885CA12 4768/4885CA3 4816/4885

“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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