SCHEMBL22757221

SCHEMBL22757221

CC(C)c1cccc(CC(C)c2ccccc2C(F)(F)F)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ IDO1 P14902 2/20 0.35
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ POLQ O75417 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ACP3 P15309 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ AR P10275 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10796149 0.77 P2RX7 (0.50) P2RX7IDO1SLC6A2HSD11B1ACP3
SCHEMBL84477 0.75 P2RX7 (0.50) P2RX7IDO1SLC6A2HSD11B1ACP3
SCHEMBL28416045 0.74 P2RX7 (0.41) P2RX7IDO1SLC6A4SLC6A2POLQ
SCHEMBL21483795 0.73 — —
SCHEMBL20801062 0.72 POLQ (0.37) SLC6A4POLQCNR2
SCHEMBL30270585 0.72 TSHR (0.53) P2RX7IDO1SLC6A4HSD11B1ACP3
SCHEMBL10120401 0.72 TSHR (0.53) P2RX7IDO1SLC6A4HSD11B1ACP3
SCHEMBL18629857 0.72 RECQL (0.33) SLC6A2
SCHEMBL807279 0.71 P2RX7 (0.48) P2RX7IDO1SLC6A2HSD11B1TRPA1
SCHEMBL13662506 0.70 P2RX7 (0.44) P2RX7IDO1SLC6A4SLC6A2HSD11B1

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 P2RX7 112/4885IDO1 4684/4885SLC6A4 2951/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 P2RX7 129/4885IDO1 4597/4885SLC6A4 2095/4885

“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.

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