SCHEMBL17388973

SCHEMBL17388973

N#CCCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.49
▸ HTR6 P50406 10/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MET P08581 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ PPME1 Q9Y570 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
SCHEMBL19746194 0.83 CYP2C19 (0.58) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL298398 0.82 CYP2C19 (0.49) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL295549 0.81 CYP2C19 (0.48) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL17103594 0.76 HTR6 (0.51) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL2565717 0.73 CYP2C19 (0.58) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL1962403 0.73 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL1958833 0.73 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL10142546 0.73 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL18346376 0.73 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL299699 0.73 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004413-A2 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 — — WO disclosed
US-20160002248-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 — — 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-20160002248-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 CYP2C19 2970/4885HTR6 2426/4885MEN1 1849/4885

“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.

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