Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972910

SCHEMBL9972910

SCHEMBL9972910

CC(C)c1nccc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL9968100 0.82 UTS2R (0.36) RXFP1
SCHEMBL3795167 0.82 RXFP1 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL31393605 0.80 BRD4 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534796 0.77 LRRK2 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534747 0.77 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534851 0.77 RXFP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534736 0.77 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9535041 0.74 KDM4E (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9972896 0.74 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534801 0.73 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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 PIK3CD 3246/4885PIK3CA 2889/4885PIK3CB 3021/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 PIK3CD 3521/4885PIK3CA 3266/4885PIK3CB 3446/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 PIK3CD 3521/4885PIK3CA 3266/4885PIK3CB 3446/4885

“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.