SCHEMBL4138504

SCHEMBL4138504

Clc1cc(-c2ccccc2)sc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.44
ESR1 P03372 4/20 0.44
PTP4A3 O75365 2/20 0.43
PTP4A2 Q12974 1/20 0.41
PTP4A1 Q93096 1/20 0.41
HSD17B2 P37059 3/20 0.39
ESR2 Q92731 4/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 1/20 0.38
IKBKB O14920 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
BTK Q06187 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL28087534 0.80 HSD17B1 (0.41) HSD17B1ESR1PTP4A3HSD17B2ESR2
SCHEMBL28039573 0.80 CYP2A6 (0.39) ESR1ESR2MEN1ALDH1A1HPGD
SCHEMBL11522473 0.79 ESR1 (0.53) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL13739868 0.77 MAPT (0.40) HSD17B1ESR1HSD17B2ESR2GAA
SCHEMBL9755135 0.76 HSD17B1 (0.70) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL119652 0.75 HSD17B1 (0.58) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL11521978 0.75 HSD17B1 (0.58) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL11525349 0.75 HSD17B1 (0.58) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL10205948 0.74 ESR1 (0.66) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL9669889 0.74 HSD17B1 (0.53) HSD17B1ESR1PTP4A3PTP4A2PTP4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH HSD17B1 587/4885ESR1 792/4885PTP4A3 1282/4885

“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.