SCHEMBL23243770

SCHEMBL23243770

COc1ccccc1C[C@@H](N[S@+]([O-])C(C)(C)C)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
KLK7 P49862 1/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL23243768 1.00 HPGD (0.41) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23243769 1.00 HPGD (0.41) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29445322 1.00 HPGD (0.41) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23243762 0.79 SLC6A2 (0.41) HPGDCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL29445320 0.79 SLC6A2 (0.41) HPGDCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL23243764 0.79 SLC6A2 (0.41) HPGDCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL23243763 0.79 SLC6A2 (0.41) HPGDCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL25325127 0.76 ALOX5 (0.31) L3MBTL1
SCHEMBL25326895 0.76 ALOX5 (0.31) L3MBTL1
SCHEMBL25912810 0.76 ALOX5 (0.31) L3MBTL1

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-20210114977-A1 AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-BRANCHED CHIRAL AMINES Piramal Enterprises Limited (IN) 2021-04-22 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-20210114977-A1 AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-BRANCHED CHIRAL AMINES SLC6A12, BCAT2, BET1 HPGD 4383/4885CYP1A2 774/4885CYP3A4 1071/4885

“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.