SCHEMBL3698358

SCHEMBL3698358

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.66
MMP2 P08253 2/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
ITGB1 P05556 5/20 0.47
ITGA4 P13612 5/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL3698356 1.00 MMP1 (0.66) MMP1MMP2MMP3MMP9MMP8
SCHEMBL3706048 0.90 MMP1 (0.70) MMP1MMP2MMP3MMP9MMP8
SCHEMBL3706050 0.90 MMP1 (0.70) MMP1MMP2MMP3MMP9MMP8
SCHEMBL3701143 0.86 MMP1 (0.48) MMP1MMP9MMP8ITGB1ITGA4
SCHEMBL3701146 0.86 MMP1 (0.48) MMP1MMP9MMP8ITGB1ITGA4
SCHEMBL7539221 0.82 PSMB1 (0.48) MMP1ITGB1ITGA4
SCHEMBL8739096 0.81 ITGB1 (0.44) MMP1ITGB1ITGA4
SCHEMBL8739536 0.80 HDAC1 (0.52) MMP1ITGB1ITGA4
SCHEMBL7982516 0.80 MMP1 (1.00) MMP1MMP2MMP3
SCHEMBL7989202 0.80 MMP1 (1.00) MMP1MMP2MMP3

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 6 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
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 MMP1 1708/4885MMP2 1907/4885MMP3 2118/4885

“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.