SCHEMBL9503312

SCHEMBL9503312

CC(C)(C)c1cc(OCC(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
CD69 Q07108 2/20 0.60
ELANE P08246 1/20 0.60
CYP2C19 P33261 1/20 0.53
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
ALOX15 P16050 1/20 0.48
HPGD P15428 1/20 0.47
PTPRB P23467 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
FFAR1 O14842 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
MCL1 Q07820 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
PTPN7 P35236 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 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
SCHEMBL17896578 0.92 SMN1; SMN2 (0.58) SMN1; SMN2CD69ELANECYP2C19EPHX2
SCHEMBL16133043 0.90 SMN1; SMN2 (0.60) SMN1; SMN2CD69ELANECYP2C19EPHX2
SCHEMBL17896563 0.88 SMN1; SMN2 (0.58) SMN1; SMN2CD69ELANECYP2C19EPHX2
SCHEMBL24116187 0.87 SMN1; SMN2 (0.56) SMN1; SMN2CD69ELANECYP2C19EPHX2
SCHEMBL16234209 0.85 SMN1; SMN2 (0.55) SMN1; SMN2CD69ELANECYP2C19EPHX2
SCHEMBL10197366 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CD69ELANECYP2C19EPHX2
SCHEMBL10197363 0.83 SMN1; SMN2 (0.47) SMN1; SMN2CD69ELANECYP2C19LMNA
SCHEMBL30831879 0.82 SMN1; SMN2 (0.65) SMN1; SMN2CD69ELANECYP2C19ALOX15
SCHEMBL1986392 0.82 SMN1; SMN2 (0.65) SMN1; SMN2CD69ELANECYP2C19ALOX15
SCHEMBL2113930 0.81 PPARD (0.52) SMN1; SMN2ALOX15LMNAPTGDR2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
EP-0288305-B1 DI-T-BUTYLPHENYL ALKYL AND BENZYL ETHERS RIKER LABORATORIES, INC. (US) 1993-08-04 EP disclosed
EP-0324917-B1 LOW PLATE-OUT POLYCARBONATES GENERAL ELECTRIC COMPANY (US) 1993-06-30 EP disclosed
US-4973731-A Di-t-butylphenyl alkyl and benzyl ether nitriles RIKER LABORATORIES, INC. (US) 1990-11-27 US disclosed
US-4950782-A Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1990-08-21 US disclosed
EP-0324917-A1 Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1989-07-26 EP disclosed
US-4841015-A Low plate-out polycarbonate end capped with phenoxy acetic acid GENERAL ELECTRIC COMPANY (US) 1989-06-20 US disclosed
EP-0288305-A1 Di-t-butylphenyl alkyl and benzyl ethers RIKER LABORATORIES, INC. (US) 1988-10-26 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 (3 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-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE SMN1; SMN2 456/4885CD69 4395/4885ELANE 524/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME SMN1; SMN2 3985/4885CD69 4032/4885ELANE 9/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN SMN1; SMN2 1020/4885CD69 4489/4885ELANE 116/4885

“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.