Sugi Predict

Sugi Predict / Compounds / SCHEMBL21955367

SCHEMBL21955367

SCHEMBL21955367

N[C@@H](Cc1ccc(-c2c(Cl)cc(F)cc2Cl)c2c1OCCC2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL21955371 1.00 USP2 (0.34) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955348 0.92 USP2 (0.34) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955346 0.92 USP2 (0.34) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955270 0.89 USP2 (0.36) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955267 0.89 USP2 (0.36) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL22016828 0.88 PTGS2 (0.33) CD274
SCHEMBL21955085 0.86 USP2 (0.38) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955082 0.86 USP2 (0.38) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955251 0.85 CYP2C9 (0.39) USP2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL21955249 0.85 CYP2C9 (0.39) USP2CYP2C9ALOX15HSD17B10MEN1

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 USP2 4585/4885CYP2C9 3493/4885ALOX15 3116/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 USP2 4585/4885CYP2C9 3493/4885ALOX15 3116/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 USP2 4585/4885CYP2C9 3493/4885ALOX15 3116/4885

“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.