SCHEMBL21281719

SCHEMBL21281719

N#Cc1cccc(CS(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GLA P06280 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PARP14 Q460N5 1/20 0.43
▸ MEP1A Q16819 1/20 0.43
▸ MEP1B Q16820 1/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ ERCC1 P07992 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ LMNA P02545 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
SCHEMBL2157445 0.84 ALDH1A1 (0.55) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL2401047 0.82 GLA (0.51) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL2399646 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL6011866 0.82 ALDH1A1 (0.53) ALDH1A1MAPTGLAMEN1KMT2A
Hydrochloric Acid SCHEMBL28331371 0.82 ALDH1A1 (0.53) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL1500860 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL6011867 0.81 ALDH1A1 (0.49) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL12303232 0.81 GLA (0.50) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL30292408 0.80 CA2 (0.70) CA1CA2CA5ACA9CYP19A1
SCHEMBL16914850 0.79 CA1 (0.58) CA1CA2ALDH1A1MAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 CA1 1863/4885CA2 1889/4885CA5A 1628/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 CA1 1863/4885CA2 1889/4885CA5A 1628/4885

“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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