SCHEMBL24630682

SCHEMBL24630682

COc1cnc(C(C)(C)C)nc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.35
P2RX2 Q9UBL9 12/20 0.35
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
NUDT1 P36639 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPM8 Q7Z2W7 1/20 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
SCHEMBL22681422 0.76 P2RX3 (0.44) P2RX3P2RX2ACVR2ATGFBR2SMPD3
SCHEMBL21030294 0.76 P2RX3 (0.37) P2RX3P2RX2ACVR2ATGFBR2SMPD3
SCHEMBL21101202 0.76 KMT2A (0.36) NUDT1KMT2AALDH1A1MEN1MAPT
SCHEMBL14997537 0.76
SCHEMBL19523196 0.76 P2RX3 (0.37) P2RX3P2RX2ACVR2ATGFBR2SMPD3
SCHEMBL26022485 0.75 ASPH (0.31)
SCHEMBL21030194 0.74 SMPD3 (0.40) P2RX3P2RX2ACVR2ATGFBR2SMPD3
SCHEMBL10220470 0.74 GAA (0.33)
SCHEMBL10220792 0.74 MAPT (0.42) NUDT1KMT2AALDH1A1MEN1MAPT
SCHEMBL14997539 0.74

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 P2RX3 3261/4885P2RX2 3674/4885ACVR2A 3055/4885

“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.