SCHEMBL19853514

SCHEMBL19853514

COc1cc(CN)ccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
CA2 P00918 10/20 0.45
CA1 P00915 9/20 0.45
CA9 Q16790 8/20 0.45
CA12 O43570 6/20 0.45
CA14 Q9ULX7 3/20 0.45
CA5A P35218 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
CA4 P22748 3/20 0.44
CA7 P43166 2/20 0.44
CA6 P23280 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
TRPV4 Q9HBA0 1/20 0.41

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
SCHEMBL28110078 0.87 TAAR1 (0.63) PKMCA2CA1CA9CA12
SCHEMBL28732677 0.86 PKM (0.55) PKMCA2CA1CA9CA12
SCHEMBL1807393 0.86 PKM (0.50) PKMCA2CA1CA9CA12
SCHEMBL5758819 0.86 SMN1; SMN2 (0.46) PKMCA2CA1CA9CA12
SCHEMBL19938065 0.86 PKM (0.50) PKMCA2CA1CA9CA12
SCHEMBL1803314 0.85 TSHR (0.44) CA2CA1CA9CA12CA14
SCHEMBL1807397 0.85 PKM (0.49) PKMCA2CA1CA9CA12
SCHEMBL1807665 0.83 CA1 (0.54) PKMCA2CA1CA9CA12
SCHEMBL9969428 0.83 PKM (0.47) PKMCA2CA1CA9CA12
SCHEMBL14076226 0.82 FOS (0.47) PKMCA2CA1CA9CA12

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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 (3 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 PKM 2442/4885CA2 2606/4885CA1 1794/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PKM 2261/4885CA2 1290/4885CA1 891/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 PKM 2261/4885CA2 1290/4885CA1 891/4885

“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.