SCHEMBL7539474

SCHEMBL7539474

CCOC(=O)CC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.48
ECE1 P42892 1/20 0.48
TACR1 P25103 1/20 0.47
MMEL1 Q495T6 1/20 0.47
ITGB1 P05556 6/20 0.46
ITGA4 P13612 6/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6128064 1.00 MMP1 (0.48) MMP1ECE1TACR1MMEL1ITGB1
SCHEMBL3697828 0.92 HDAC1 (0.50) MMP1ITGB1ITGA4ALDH1A1ATM
SCHEMBL3697832 0.92 HDAC1 (0.50) MMP1ITGB1ITGA4ALDH1A1ATM
SCHEMBL7541630 0.91 ITGB1 (0.48) MMP1ECE1ITGB1ITGA4CYP3A4
SCHEMBL3704042 0.90 ITGA4 (0.56) ITGB1ITGA4
SCHEMBL3701862 0.90 ITGA4 (0.56) ITGB1ITGA4
SCHEMBL7513451 0.89 MMP1 (0.51) MMP1ECE1TACR1ITGB1ITGA4
SCHEMBL7538528 0.83 MMEL1 (0.57) MMEL1
SCHEMBL6119582 0.83 MMEL1 (0.57) MMEL1
SCHEMBL6119591 0.83 MMEL1 (0.57) MMEL1

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-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US 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

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 MMP1 1708/4885ECE1 3/4885TACR1 87/4885

“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.