SCHEMBL25833343

SCHEMBL25833343

C[SH](C)c1nc(-c2ccc3sc4ccccc4c3c2)nc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
GPR3 P46089 1/20 0.34
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGIR P43119 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
SCHEMBL25817382 0.88 GPR3 (0.41) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL25878025 0.88 GPR3 (0.41) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL19977479 0.85 PTPN7 (0.41) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL25817379 0.80 MAPT (0.42) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL25833414 0.80 NPC1 (0.38) MAPTCYP1A2ALDH1A1HPGDRAB9A
SCHEMBL25878089 0.79 KDM4E (0.42) PTPN7DUSP3PTPN12PTPN22CYP1A2
SCHEMBL25833219 0.78 CYP1A2 (0.37) CYP1A2ALDH1A1HPGDSMN1; SMN2
SCHEMBL23473632 0.77 MAPT (0.40) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL25878092 0.77 RAB9A (0.38) PTPN7DUSP3PTPN12PTPN22MAPT
SCHEMBL15501952 0.77 GPR3 (0.54) PTPN7DUSP3PTPN12PTPN22GPR3

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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM PTPN7 3481/4885DUSP3 4756/4885PTPN12 3360/4885

“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.