SCHEMBL7539221

SCHEMBL7539221

C=C(Cl)CC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCc2ccco2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
MMP1 P03956 3/20 0.46
CNR2 P34972 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CTSL P07711 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL3702656 0.84 OGT (0.45) MMP1ITGB1ITGA4ALDH1A1MAPT
SCHEMBL3702653 0.84 OGT (0.45) MMP1ITGB1ITGA4ALDH1A1MAPT
SCHEMBL3698356 0.82 MMP1 (0.66) MMP1ITGB1ITGA4
SCHEMBL3698358 0.82 MMP1 (0.66) MMP1ITGB1ITGA4
SCHEMBL3701143 0.77 MMP1 (0.48) MMP1ITGB1ITGA4
SCHEMBL3701146 0.77 MMP1 (0.48) MMP1ITGB1ITGA4
SCHEMBL7543971 0.76 MMP1 (0.54) MMP1ITGB1ITGA4
SCHEMBL8739096 0.74 ITGB1 (0.44) MMP1ITGB1ITGA4
SCHEMBL7544562 0.74 MMEL1 (0.55) MMP1ITGB1ITGA4TACR2
SCHEMBL3706048 0.73 MMP1 (0.70) MMP1ITGB1ITGA4

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 2 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-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 PSMB1 2344/4885PSMB5 786/4885PSMB2 3012/4885

“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.