Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972882

SCHEMBL9972882

SCHEMBL9972882

CC(C)c1nsc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPK1 P28482 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ MC3R P41968 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ GDA Q9Y2T3 1/20 0.32
▸ NR2E1 Q9Y466 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9974611 0.77 KDM4E (0.37) ADORA2APIK3CDPOLBADORA3CNR1
SCHEMBL1689594 0.76 TRPA1 (0.34) RXFP1TRPA1TRPV4TRPV1TRPV3
SCHEMBL17636237 0.75 POLB (0.37) RXFP1TSHRADORA2APIK3CDPOLB
SCHEMBL9972905 0.72 TRPA1 (0.32) ADORA2APIK3CDPOLBADORA3CNR1
SCHEMBL9972908 0.69 KMT2A (0.44) KMT2ARXFP1MAPK1ADORA2APIK3CD
SCHEMBL1689598 0.68 TRPA1 (0.44) POLBADORA2BTRPA1TRPV4TRPV1
SCHEMBL13190353 0.67 TRPA1 (0.43) KDM4ETRPA1TRPV4TRPV1TRPV3
SCHEMBL9972887 0.67 MAPK8 (0.38) KMT2ARXFP1MAPK1TSHRADORA2A
SCHEMBL10221874 0.66 ERCC5 (0.45) KMT2ARXFP1POLBKDM4EHSD17B10
SCHEMBL9972877 0.66 KMT2A (0.33) KMT2ARXFP1MAPK1POLBADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 — — US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 — — US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 — — US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 — — US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 — — 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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2406/4885RXFP1 795/4885MAPK1 2168/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2625/4885RXFP1 844/4885MAPK1 1705/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2625/4885RXFP1 844/4885MAPK1 1705/4885

“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.