SCHEMBL5653973

SCHEMBL5653973

NC(=O)C(CO)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.49
CD274 Q9NZQ7 2/20 0.49
ACP3 P15309 1/20 0.44
EPHX1 P07099 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1576808 1.00 PDCD1 (0.49) PDCD1CD274ACP3EPHX1CYP1A2
SCHEMBL5653982 1.00 PDCD1 (0.49) PDCD1CD274ACP3EPHX1CYP1A2
SCHEMBL15669228 0.86 TLR2 (0.43) ACP3ALDH1A1RAB9A
SCHEMBL15669229 0.86 TLR2 (0.43) ACP3ALDH1A1RAB9A
SCHEMBL1070410 0.86 BCHE (0.54)
SCHEMBL7394895 0.86 BCHE (0.54)
SCHEMBL7396992 0.86 BCHE (0.54)
Hydrazine SCHEMBL28609493 0.86 PDCD1 (0.51) PDCD1CD274ALDH1A1RAB9A
SCHEMBL26523520 0.86 CYP1A2 (0.47) ACP3EPHX1CYP1A2CYP2D6CYP2C9
SCHEMBL8843830 0.86 EPHX1 (0.51) EPHX1

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-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 PDCD1 1163/4885CD274 1505/4885ACP3 1940/4885

“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.