SCHEMBL4611633

SCHEMBL4611633

CCS(=O)(=O)c1ccccc1C(C)NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.38
HSD11B1 P28845 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LCK P06239 1/20 0.35
CTSL P07711 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
SCHEMBL4611629 1.00 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4855769 0.75 POLB (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19319111 0.75 ALDH1A1 (0.48) HTTPOLBCNR2MAPK1CNR1
SCHEMBL19319086 0.75 ALDH1A1 (0.48) HTTPOLBCNR2MAPK1CNR1
SCHEMBL19319108 0.75 ALDH1A1 (0.48) HTTPOLBCNR2MAPK1CNR1
SCHEMBL10179614 0.73 PSIP1 (0.45) CYP1A2CYP3A4TSHRPOLBHSD11B1
SCHEMBL4599401 0.72 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2901261 0.72 TSHR (0.45) TSHRPOLBMEN1KMT2AATM
SCHEMBL19318570 0.71 HSD17B10 (0.56) HTTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2903965 0.71 HSD17B10 (0.56) HTTPOLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 CYP1A2 409/4885CYP3A4 201/4885CYP2D6 205/4885

“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.