SCHEMBL17816183

SCHEMBL17816183

O=C(O)c1ccc(I)c(S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.48
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 4/20 0.45
CA6 P23280 4/20 0.45
CA9 Q16790 4/20 0.45
CA4 P22748 3/20 0.45
CA7 P43166 3/20 0.45
CA14 Q9ULX7 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44

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
SCHEMBL7803073 0.84 TPMT (0.54) TPMTTSHRTP53CA1CA2
SCHEMBL21383062 0.81 TSHR (0.55) TPMTTSHRTP53CA1CA2
SCHEMBL29364242 0.79 TPMT (0.58) TPMTTSHRTP53CA1CA2
SCHEMBL2723610 0.79 TPMT (0.58) TPMTTSHRTP53CA1CA2
SCHEMBL76426 0.78 CDC25B (0.55) TPMTTSHRTP53CA1CA2
Hydrochloric Acid SCHEMBL8693394 0.77 CDC25B (0.53) TPMTTSHRTP53CA1CA2
SCHEMBL9080711 0.76 KDM4E (0.52) TPMTTSHRTP53CA1CA2
SCHEMBL351139 0.76 CA12 (0.64) TPMTTSHRTP53CA1CA2
SCHEMBL2952938 0.76 MAPT (0.52) TPMTTSHRTP53CA1CA2
SCHEMBL30574437 0.76 CA12 (0.64) TPMTTSHRTP53CA1CA2

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
CN-112679472-A Isoquinoline compounds with IRAK4 inhibitor activity 北京桦冠医药科技有限公司 2021-04-20 CN disclosed
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC 2017-10-19 US disclosed
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO 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-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS TPMT 56/4885TSHR 3336/4885TP53 395/4885

“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.