SCHEMBL22757285

SCHEMBL22757285

CCC(C)n1cc(CCN(C)CC(F)F)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
SIGMAR1 Q99720 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL22757231 0.88 PTGS2 (0.38) PTGS2SIGMAR1BMPR1BBMPR1ATGFBR1
SCHEMBL21484163 0.80 SIGMAR1 (0.33) PTGS2SIGMAR1ALDH1A1
SCHEMBL21476166 0.80 SIGMAR1 (0.35) PTGS2SIGMAR1KDM4EALDH1A1CYP1A2
SCHEMBL21476163 0.74 PTGS2 (0.40) PTGS2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21484161 0.71 PTGS2 (0.35) PTGS2SIGMAR1
SCHEMBL21475878 0.70 HRH3 (0.44) PTGS2
SCHEMBL19677340 0.69 ALDH1A1 (0.41) PTGS2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21476001 0.68 KCNH2 (0.38) SIGMAR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10313007 0.68 TGFBR1 (0.39) PTGS2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21476169 0.65 CREBBP (0.35) PTGS2KDM4E

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-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 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-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 PTGS2 4519/4885SIGMAR1 1331/4885BMPR1B 1651/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 PTGS2 4366/4885SIGMAR1 1104/4885BMPR1B 1808/4885

“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.