SCHEMBL2507585

SCHEMBL2507585

CC(NC(=O)O)C(=O)Nc1cccc(S(C)(=O)=O)c1NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
CXCR2 P25025 3/20 0.35
USP30 Q70CQ3 6/20 0.35
NSD2 O96028 1/20 0.34
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
BCAT2 O15382 1/20 0.33
PGR P06401 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2505804 0.86 AAK1 (0.38) ALDH1A1
SCHEMBL2505802 0.86 AAK1 (0.38) ALDH1A1
SCHEMBL2507325 0.83 USP30 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2510641 0.82 LMNA (0.45) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL3452482 0.80 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL27911449 0.80 POLB (0.36) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2506780 0.79 CA1 (0.38) ALDH1A1USP30BCAT2PGRSCN1A
SCHEMBL2508252 0.79 ALDH1A1 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2506898 0.79 PKM (0.44) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2509380 0.79 CXCR2 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CYP3A4 3267/4885CYP2D6 2966/4885CYP2C9 2845/4885

“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.