SCHEMBL17870489

SCHEMBL17870489

C=CCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMBR P28336 6/20 0.58
BRS3 P32247 3/20 0.57
TACR1 P25103 2/20 0.57
TACR3 P29371 1/20 0.57
CTSL P07711 1/20 0.56
ALOX15 P16050 1/20 0.54
BID P55957 1/20 0.53
BCL2A1 Q16548 1/20 0.53

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
SCHEMBL17870487 1.00 NMBR (0.58) NMBRBRS3TACR1TACR3CTSL
SCHEMBL17870210 0.91 NMBR (0.60) NMBRBRS3TACR1TACR3CTSL
SCHEMBL17884327 0.85 CTSL (0.72) NMBRTACR1TACR3CTSL
SCHEMBL3782261 0.80 KMT2A (0.66) TACR1CTSLALOX15
SCHEMBL3787557 0.80 MMP9 (0.72) ALOX15
SCHEMBL17941644 0.80 MMP2 (0.74) NMBRTACR3
SCHEMBL17941642 0.80 MMP2 (0.74) NMBRTACR3
SCHEMBL3857229 0.80 ALOX15 (0.74) ALOX15
SCHEMBL3857226 0.80 ALOX15 (0.74) ALOX15
Hydrochloric Acid SCHEMBL20511898 0.79 KMT2A (0.65) TACR1CTSLALOX15

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-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-20 US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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 (2 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX NMBR 678/4885BRS3 852/4885TACR1 598/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX NMBR 678/4885BRS3 852/4885TACR1 598/4885

“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.