SCHEMBL3707904

SCHEMBL3707904

CCOC(=O)CC1(C(=O)O)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 5/20 0.37
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2938022 0.98 CYP2C19 (0.57) CYP2C19GAAMGAMSIMGAM2
SCHEMBL5028516 0.85 GAA (0.41) CYP2C19GAAMGAMSIMGAM2
SCHEMBL7536987 0.82 CYP2C19 (0.47) CYP2C19KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL8572402 0.81 CYP2C19 (0.41) CYP2C19GAAMGAMSIMGAM2
SCHEMBL31465706 0.81 TSHR (0.45) GAAKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL9015161 0.79 CYP2C19 (0.61) CYP2C19ALDH1A1CYP1A2SMN1; SMN2LMNA
SCHEMBL28757144 0.79 MEN1 (0.43) CYP2C19KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL7848700 0.78 GAA (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL9015209 0.78 CYP2C19 (0.65) CYP2C19KMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL9015163 0.77 CYP2C19 (0.53) CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016106623-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CYP2C19 1226/4885GAA 471/4885MGAM 2076/4885

“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.