SCHEMBL2227563

SCHEMBL2227563

Cc1cccc(C(=O)C2CCCO2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL29980474 0.79 GAA (0.48) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL24681676 0.77 ALDH1A1 (0.43) HPGDHTTLMNASMN1; SMN2NPC1
SCHEMBL21132891 0.77 ALDH1A1 (0.43) HPGDHTTLMNASMN1; SMN2NPC1
SCHEMBL21132657 0.77 ALDH1A1 (0.43) HPGDHTTLMNASMN1; SMN2NPC1
SCHEMBL29283156 0.73 GAA (0.66) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL21132553 0.71 HPGD (0.56) HPGDHTTTP53KDM4EALDH1A1
SCHEMBL28454455 0.71 LMNA (0.49) HPGDHTTLMNASMN1; SMN2NPC1
SCHEMBL29723381 0.71 HPGD (0.56) HPGDHTTTP53KDM4EALDH1A1
SCHEMBL4322056 0.70 KDM4E (0.47) HPGDHTTLMNASMN1; SMN2NPC1
SCHEMBL27351823 0.68 HPGD (0.51) HPGDHTTNPC1RAB9ATP53

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
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B HPGD 2637/4885HTT 2538/4885LMNA 1296/4885

“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.