SCHEMBL5092006

SCHEMBL5092006

CCOC(=O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
MET P08581 1/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
P2RX1 P51575 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5748815 0.88 HSP90AB1 (0.45) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL704360 0.84 TACR1 (0.46) LMNAHTTALDH1A1POLBMAPT
SCHEMBL24650659 0.80 GPR35 (0.43) LMNAHTTALDH1A1POLBMAPT
SCHEMBL5631284 0.80 RXRA (0.49) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL20349610 0.80 RXRA (0.50) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL137510 0.79 HSP90AB1 (0.47) LMNAHTTALDH1A1POLBMAPT
SCHEMBL27734452 0.78 P2RX1 (0.42) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL25077871 0.78 CYP3A4 (0.45) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL349231 0.78 LMNA (0.40) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL24650657 0.78 GPR35 (0.41) LMNAHTTALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335673-B2 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1325903-A1 2,3-DIPHENYLPROPIONIC ACID DERIVATIVES OR THEIR SALTS, MEDICINES OR CELL ADHESION INHIBITORS CONTAINING THE SAME, AND THEIR USAGE Kaken Pharmaceutical Co., Ltd. (JP) 2003-07-09 EP 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-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage VCAM1, ICAM1, PTK2 LMNA 2733/4885MEN1 2532/4885KMT2A 2949/4885

“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.