SCHEMBL29736282

SCHEMBL29736282

COC(=O)[C@@H](N)Cc1ccc(Br)c2c1OCCO2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
IDO1 P14902 1/20 0.33
PTGS2 P35354 1/20 0.33
EDNRA P25101 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
MTNR1A P48039 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25311996 0.93 ALDH1A1 (0.36) MEN1HPGDKMT2AALDH1A1PTGS2
SCHEMBL25311998 0.93 ALDH1A1 (0.36) MEN1HPGDKMT2AALDH1A1PTGS2
SCHEMBL29736486 0.85 HTR2C (0.34) ALDH1A1PTGS2MTNR1A
SCHEMBL21955183 0.85 USP2 (0.41) MEN1HPGDKMT2ANPSR1ALDH1A1
SCHEMBL21955182 0.85 USP2 (0.41) MEN1HPGDKMT2ANPSR1ALDH1A1
SCHEMBL29736506 0.84 PTGS2 (0.33) ALDH1A1PTGS2
SCHEMBL22017697 0.84 PTGS2 (0.33) ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL29736398 0.83 ALDH1A1 (0.34) ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL28588530 0.83 ALDH1A1 (0.34) ALDH1A1PTGS2
SCHEMBL22017120 0.77 ALDH1A1 (0.34) MEN1KMT2AALDH1A1IDO1PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 MEN1 3521/4885HPGD 3062/4885KMT2A 4050/4885

“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.