SCHEMBL438100

SCHEMBL438100

CC(=O)c1sc2c(Cl)ncnc2c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.45
RXFP1 Q9HBX9 3/20 0.36
POLB P06746 3/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
GPR35 Q9HC97 1/20 0.33
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16011505 0.87 NOTUM (0.48) NOTUMRXFP1POLBOPRK1ALDH1A1
SCHEMBL16011606 0.86 SIRT2 (0.44) NOTUMRXFP1POLBOPRK1ALDH1A1
SCHEMBL469124 0.81 HSD17B10 (0.49) NOTUMRXFP1ALDH1A1MAPTRAB9A
SCHEMBL440686 0.73 NOTUM (0.56) NOTUMRXFP1POLBALDH1A1MAPT
SCHEMBL441077 0.73 OPRK1 (0.40) NOTUMRXFP1POLBOPRK1ALDH1A1
SCHEMBL6101494 0.72 NOTUM (0.40) NOTUMRXFP1POLBOPRK1ALDH1A1
SCHEMBL6104817 0.70 LIMK1 (0.47) NOTUMRXFP1POLBALDH1A1MAPT
SCHEMBL31541785 0.70 KMT2A (0.38) NOTUMRXFP1POLBOPRK1ALDH1A1
SCHEMBL4220710 0.67 LIMK1 (0.46) NOTUMRXFP1POLBOPRK1ALDH1A1
SCHEMBL1663042 0.66 KMO (0.38)

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
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 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 (2 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-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885RXFP1 1853/4885POLB 2535/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885RXFP1 1853/4885POLB 2535/4885

“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.