SCHEMBL25759375

SCHEMBL25759375

CC(=O)C[S+]([O-])c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA1 P30542 1/20 0.47
DYRK1A Q13627 1/20 0.47
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 1/20 0.41
DDAH1 O94760 1/20 0.41
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11429532 0.87 SMN1; SMN2 (0.48) MAPTCYP1A2CYP2C19GAAALDH1A1
SCHEMBL19403461 0.81 PAX8 (0.44) MAPTCYP1A2CYP2C19ADORA1DYRK1A
SCHEMBL20875226 0.81 PAX8 (0.44) MAPTCYP1A2CYP2C19ADORA1DYRK1A
SCHEMBL11499868 0.81 SMN1; SMN2 (0.39) MAPTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL9216045 0.79 POLB (0.43) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL19385848 0.77 FBP1 (0.43) MAPTCYP1A2CYP2C19GAAALDH1A1
SCHEMBL11376480 0.77 UBE2T (0.41) MAPTCYP1A2CYP2C19GAAALDH1A1
SCHEMBL19385849 0.77 FBP1 (0.43) MAPTCYP1A2CYP2C19GAAALDH1A1
SCHEMBL10926335 0.77 MAPT (0.52) MAPTCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL23196655 0.77 ALPG (0.58) MAPTGAAALDH1A1KDM4EMEN1

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
US-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
WO-2023065610-A1 PREPARATION METHOD FOR HALOFUGINONE INTERMEDIATE TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-ACETONE 诚达药业股份有限公司 2023-04-27 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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE TALDO1, RPL22, RPS20 MAPT 4724/4885CYP1A2 215/4885CYP2C19 341/4885

“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.