SCHEMBL2431670

SCHEMBL2431670

CC(C)(C)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 12/20 0.49
BRD4 O60885 1/20 0.46
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PPARA Q07869 1/20 0.43
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL8170317 1.00 FFAR2 (0.49) FFAR2BRD4ATML3MBTL1MEN1
SCHEMBL8459817 0.86 BRD4 (0.44) FFAR2BRD4MEN1CYP2D6CYP2C19
SCHEMBL11112490 0.86 FFAR2 (0.50) FFAR2BRD4ATML3MBTL1MEN1
SCHEMBL22758110 0.84 FFAR2 (0.49) FFAR2BRD4CYP2D6CYP2C19CYP1A2
SCHEMBL9855864 0.84 FFAR2 (0.49) FFAR2BRD4ATML3MBTL1MEN1
SCHEMBL4630315 0.82 SRC (0.46) ATML3MBTL1CYP2D6CYP2C19KMT2A
SCHEMBL517908 0.82 ATM (0.44) ATML3MBTL1POLB
SCHEMBL16682784 0.82 SRC (0.46) ATML3MBTL1CYP2D6CYP2C19KMT2A
SCHEMBL66018 0.81 L3MBTL1 (0.61) ATML3MBTL1CYP2D6KMT2A
SCHEMBL17357501 0.81 L3MBTL1 (0.61) ATML3MBTL1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
US-6849649-B2 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. (US) 2005-02-01 US disclosed
US-20040106611-A1 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC 2004-06-03 US disclosed
EP-1373192-A1 N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD Pfizer Limited (GB) 2004-01-02 EP disclosed
US-6660756-B2 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-12-09 US disclosed
US-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-06-05 US disclosed
WO-2002079143-A1 N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD PFIZER LIMITED (GB) 2002-10-10 WO disclosed
WO-2000053017-A1 INSECTICIDE COMPOSITION RODRIGUEZ RAMOS RAFAEL (ES) 2000-09-14 WO disclosed
US-5066675-A Alkynyl substituent, agricultural use SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-19 US disclosed
EP-0261072-B1 SUBSTITUTED PHENYL ACID ESTERS, THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-16 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 (2 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-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP FFAR2 1026/4885BRD4 3271/4885ATM 4869/4885
US-20040106611-A1 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP FFAR2 729/4885BRD4 2903/4885ATM 4874/4885

“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.