SCHEMBL22016795

SCHEMBL22016795

COC(=O)[C@@H](N)Cc1ccc(-c2c(Cl)cc(F)cc2Cl)c2c1OCCO2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
MME P08473 3/20 0.31
NR3C2 P08235 2/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 1/20 0.31
CASR P41180 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS2 P35228 1/20 0.31
MAPT P10636 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL22017387 0.96 PTGS2 (0.35) PTGS2MMENR3C2ALDH1A1P2RX7
SCHEMBL22016828 0.87 PTGS2 (0.33) PTGS2
SCHEMBL29736237 0.87 PTGS2 (0.33) PTGS2NR3C2
SCHEMBL21955082 0.87 USP2 (0.38) MMEALDH1A1POLBL3MBTL1KMT2A
SCHEMBL21955085 0.87 USP2 (0.38) MMEALDH1A1POLBL3MBTL1KMT2A
SCHEMBL22035257 0.83 PTGS2 (0.32) PTGS2NOS2
SCHEMBL21955270 0.83 USP2 (0.36) MMEALDH1A1POLBL3MBTL1KMT2A
SCHEMBL21955267 0.83 USP2 (0.36) MMEALDH1A1POLBL3MBTL1KMT2A
SCHEMBL22016793 0.82 NOS2 (0.38) TAS1R3TAS1R1NOS2
SCHEMBL22016805 0.81 PTGS2 (0.34) PTGS2MMENR3C2ALDH1A1P2RX7

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 2563/4885MME 3628/4885NR3C2 980/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PTGS2 2563/4885MME 3628/4885NR3C2 980/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PTGS2 2563/4885MME 3628/4885NR3C2 980/4885

“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.