SCHEMBL22017092

SCHEMBL22017092

COC(=O)[C@@H](N)Cc1ccc(C2OC(C)(C)C(C)(C)O2)c2c1CCCO2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL29736506 0.82 PTGS2 (0.33) PTGS2
SCHEMBL22017697 0.82 PTGS2 (0.33) PTGS2
Hydrochloric Acid SCHEMBL29736398 0.81 ALDH1A1 (0.34) PTGS2
Hydrochloric Acid SCHEMBL28588530 0.81 ALDH1A1 (0.34) PTGS2
SCHEMBL29736486 0.76 HTR2C (0.34) PTGS2
SCHEMBL22016811 0.73 NLRP3 (0.32)
SCHEMBL29736521 0.73 ALDH1A1 (0.35)
SCHEMBL29736237 0.73 PTGS2 (0.33) PTGS2
SCHEMBL29736301 0.71 ITGB1 (0.38) PTGS2
SCHEMBL15807576 0.69 NLRP3 (0.38) PTGS2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US 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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PTGS2 2563/4885MGAM 3657/4885AMY1A 2074/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PTGS2 2563/4885MGAM 3657/4885AMY1A 2074/4885

“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.