SCHEMBL21955249

SCHEMBL21955249

N[C@@H](Cc1ccc(-c2c(Cl)cc(F)cc2Cl)c2c1CCC2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RGS12 O14924 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
THPO P40225 1/20 0.39
CASP7 P55210 1/20 0.39
GNAI1 P63096 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21955251 1.00 CYP2C9 (0.39) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955013 0.87 CYP2C9 (0.38) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955012 0.87 CYP2C9 (0.38) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL29736135 0.87 PTGS2 (0.36) KMT2AALDH1A1POLBL3MBTL1HTR5A
SCHEMBL21955346 0.85 USP2 (0.34) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955367 0.85 USP2 (0.34) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955371 0.85 USP2 (0.34) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955348 0.85 USP2 (0.34) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955267 0.79 USP2 (0.36) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL21955270 0.79 USP2 (0.36) CYP2C9ALOX15HSD17B10MEN1KMT2A

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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
EP-3873897-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (3 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 CYP2C9 3493/4885ALOX15 3116/4885HSD17B10 3214/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CYP2C9 3493/4885ALOX15 3116/4885HSD17B10 3214/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 CYP2C9 3493/4885ALOX15 3116/4885HSD17B10 3214/4885

“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.