SCHEMBL5017568

SCHEMBL5017568

CCNc1sc(C)c(C)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 3/20 0.56
GRIN2C Q14957 1/20 0.47
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
AIP O00170 1/20 0.41
SGTA O43765 1/20 0.41
TOMM70 O94826 1/20 0.41
STIP1 P31948 1/20 0.41
PPP5C P53041 1/20 0.41
FKBP4 Q02790 1/20 0.41
PPID Q08752 1/20 0.41
FKBP5 Q13451 1/20 0.41
FKBP8 Q14318 1/20 0.41
TOMM34 Q15785 1/20 0.41
DNAJC7 Q99615 1/20 0.41
AIPL1 Q9NZN9 1/20 0.41
STUB1 Q9UNE7 1/20 0.41
POLB P06746 2/20 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
SCHEMBL21612947 0.76 ALDH1A1 (0.61) ABCC1GRIN2CKMT2AMAPK1ALDH1A1
SCHEMBL3567804 0.73 ALDH1A1 (0.38) ABCC1ALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL23413214 0.71 GRIN2C (0.58) ABCC1GRIN2CKMT2AMAPK1ALDH1A1
Cyclohexane SCHEMBL7825607 0.71 ABCC1 (0.57) ABCC1GRIN2CKMT2AMAPK1ALDH1A1
SCHEMBL8304526 0.71 POLB (0.52) ABCC1GRIN2CKMT2AMAPK1ALDH1A1
SCHEMBL11578886 0.71 DHODH (0.47) ABCC1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL3745498 0.69 ABCC1 (0.51) ABCC1GRIN2CKMT2AMAPK1ALDH1A1
SCHEMBL5434244 0.69 ABCC1 (0.38) ABCC1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL23413257 0.68 ALDH1A1 (0.83) GRIN2CKMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL9100005 0.68 GRIN2C (0.55) ABCC1GRIN2CKMT2AMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 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-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ABCC1 4029/4885GRIN2C 344/4885KMT2A 4389/4885

“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.