SCHEMBL22016828

SCHEMBL22016828

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
CD274 Q9NZQ7 2/20 0.31
HTR4 Q13639 1/20 0.31
SLC6A3 Q01959 4/20 0.31

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
SCHEMBL29736237 0.93 PTGS2 (0.33) PTGS2HTR4SLC6A3
SCHEMBL22017387 0.89 PTGS2 (0.35) PTGS2SLC6A3
SCHEMBL21955371 0.88 USP2 (0.34) CD274
SCHEMBL21955367 0.88 USP2 (0.34) CD274
SCHEMBL22016795 0.87 PTGS2 (0.34) PTGS2
SCHEMBL29736135 0.86 PTGS2 (0.36) PTGS2
SCHEMBL29736288 0.82 NLRP3 (0.36)
SCHEMBL22016827 0.82 NLRP3 (0.36)
SCHEMBL22016805 0.81 PTGS2 (0.34) PTGS2SLC6A3
SCHEMBL29736427 0.81 PTGS2 (0.34) PTGS2SLC6A3

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 3 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
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 PTGS2 2563/4885CD274 1102/4885HTR4 2660/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PTGS2 2563/4885CD274 1102/4885HTR4 2660/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PTGS2 2563/4885CD274 1102/4885HTR4 2660/4885

“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.