SCHEMBL2165271

SCHEMBL2165271

Cc1cccc(C(C)C(O)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
LMNA P02545 4/20 0.46
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 2/20 0.46
EPHX1 P07099 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH1 P35367 1/20 0.42
CX3CR1 P49238 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 2/20 0.40
PTGS1 P23219 2/20 0.40
CXCR1 P25024 2/20 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
SCHEMBL27937165 0.84 LMNA (0.51) ACP3LMNAHIF1AKDM4EEPHX1
SCHEMBL21200913 0.82 CPN1 (0.54) LMNAHIF1AKDM4EMAPTPTGS1
SCHEMBL5328076 0.81 ACP3 (0.46) ACP3LMNAHIF1AKDM4EAKR1C3
SCHEMBL180160 0.81 LMNA (0.54) LMNAHIF1AKDM4EPTGS2MAPK1
SCHEMBL7525226 0.81 LMNA (0.54) LMNAHIF1AKDM4EPTGS2MAPK1
SCHEMBL10024370 0.81 LMNA (0.54) LMNAHIF1AKDM4EPTGS2MAPK1
SCHEMBL25515020 0.80 ACP3 (0.49) ACP3LMNAHIF1AKDM4EEPHX1
SCHEMBL3240938 0.79 PTGS1 (0.61) ACP3LMNAHIF1AKDM4EAKR1C3
SCHEMBL31407019 0.79 LMNA (0.59) ACP3LMNAEPHX1AKR1C3AKR1C2
SCHEMBL1651840 0.79 PTGS1 (0.61) ACP3LMNAHIF1AKDM4EAKR1C3

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-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 US disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACP3 2459/4885LMNA 687/4885HIF1A 2057/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ACP3 2459/4885LMNA 687/4885HIF1A 2057/4885

“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.