SCHEMBL24630637

SCHEMBL24630637

CC(C)(C)c1ccc2cc(C(C)(C)S)n(CF)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 6/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL21341612 0.89 CCR9 (0.39) CCR9KCNH2PGRRORARORC
SCHEMBL24630688 0.85 CCR9 (0.38) CCR9KCNH2ALDH1A1HPGDALOX15
SCHEMBL24943615 0.76 CCR9 (0.38) CCR9KCNH2PGRRORARORC
SCHEMBL21341616 0.74 CCR9 (0.38) CCR9KCNH2PGRRORARORC
SCHEMBL21341336 0.73 KCNH2 (0.38) CCR9KCNH2ALDH1A1HPGDALOX15
SCHEMBL21341334 0.71 CCR9 (0.39) CCR9KCNH2PGRRORARORC
SCHEMBL24943616 0.70 CCR9 (0.33) CCR9KCNH2PGRRORARORC
SCHEMBL24944392 0.69 CCR9 (0.36) CCR9KCNH2
SCHEMBL24943811 0.69 CCR9 (0.38) CCR9ALDH1A1HPGDHSD17B10
SCHEMBL20618779 0.69 KDM4E (0.39) CCR9KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 — — 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 (1 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-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 CCR9 2594/4885KCNH2 4488/4885PGR 2602/4885

“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.

Send feedback