SCHEMBL3697828

SCHEMBL3697828

CCOC(=O)CC1(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C(=O)OC)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
MMP1 P03956 3/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB1 P05556 7/20 0.48
ITGA4 P13612 7/20 0.48
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ITGB7 P26010 2/20 0.47

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
SCHEMBL3697832 1.00 HDAC1 (0.50) HDAC1HDAC6MMP1ATML3MBTL1
SCHEMBL3701862 0.94 ITGA4 (0.56) ITGB1ITGA4ITGB7
SCHEMBL3704042 0.94 ITGA4 (0.56) ITGB1ITGA4ITGB7
SCHEMBL6128064 0.92 MMP1 (0.48) MMP1ATML3MBTL1ITGB1ITGA4
SCHEMBL7539474 0.92 MMP1 (0.48) MMP1ATML3MBTL1ITGB1ITGA4
SCHEMBL8739536 0.87 HDAC1 (0.52) HDAC1HDAC6MMP1ATML3MBTL1
SCHEMBL3695364 0.82 ACE (0.49)
SCHEMBL7544573 0.82 ACE (0.49)
SCHEMBL3695367 0.82 ACE (0.49)
SCHEMBL7541630 0.82 ITGB1 (0.48) HDAC1HDAC6MMP1ITGB1ITGA4

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 4 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
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

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 HDAC1 449/4885HDAC6 213/4885MMP1 1708/4885

“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.