SCHEMBL16617422

SCHEMBL16617422

COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.76
CTSL P07711 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
APEX1 P27695 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL16618111 0.92 TACR1 (0.67) TACR1CTSL
SCHEMBL16618112 0.92 TACR1 (0.67) TACR1CTSL
SCHEMBL16617689 0.91 MEN1 (0.63) TACR1CTSLMEN1KMT2A
SCHEMBL16617948 0.90 TACR1 (0.67) TACR1CTSLMAPT
SCHEMBL16617399 0.89 MEN1 (0.63) TACR1CTSLMEN1KMT2A
SCHEMBL16617625 0.89 TACR1 (0.75) TACR1CTSLTP53MAPT
SCHEMBL16617103 0.88 MEN1 (0.66) TACR1CTSLMEN1KMT2A
SCHEMBL16617101 0.88 MEN1 (0.66) TACR1CTSLMEN1KMT2A
SCHEMBL16617278 0.86 TACR1 (0.64) TACR1CTSLMAPT
SCHEMBL16617372 0.86 TACR1 (0.58) TACR1CTSL

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-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-10-29 US disclosed
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-04-09 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-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 TACR1 84/4885CTSL 957/4885MRGPRX4 30/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 TACR1 84/4885CTSL 957/4885MRGPRX4 30/4885

“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.