SCHEMBL4599401

SCHEMBL4599401

C[C@@H](NC(=O)C(C)(C)C)c1ccccc1S(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CETP P11597 1/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 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
SCHEMBL5002749 0.85 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C19POLBMAPK1
SCHEMBL19319108 0.76 ALDH1A1 (0.48) ALDH1A1POLBMAPK1HTTMEN1
SCHEMBL19319111 0.76 ALDH1A1 (0.48) ALDH1A1POLBMAPK1HTTMEN1
SCHEMBL4855769 0.76 POLB (0.41) ALDH1A1CYP3A4CYP2C19POLBMAPK1
SCHEMBL19319086 0.76 ALDH1A1 (0.48) ALDH1A1POLBMAPK1HTTMEN1
SCHEMBL2901261 0.73 TSHR (0.45) ALDH1A1POLBNPSR1MEN1KMT2A
SCHEMBL9843874 0.73 CYP3A4 (0.54) ALDH1A1CYP3A4CYP2C19POLBSMN1; SMN2
SCHEMBL30717958 0.73 CYP3A4 (0.54) ALDH1A1CYP3A4CYP2C19POLBSMN1; SMN2
SCHEMBL2903965 0.72 HSD17B10 (0.56) ALDH1A1POLBHTTSMN1; SMN2MEN1
SCHEMBL19318570 0.72 HSD17B10 (0.56) ALDH1A1POLBHTTSMN1; SMN2MEN1

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 ALDH1A1 2963/4885CYP3A4 201/4885CYP2C19 268/4885

“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.