SCHEMBL17434764

SCHEMBL17434764

O=C(OCCc1ccccc1)N(S)S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
HCAR2 Q8TDS4 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APP P05067 1/20 0.49

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
SCHEMBL5616717 0.98 TDP1 (0.55) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL11299427 0.81 CHRNB2 (0.55) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL2773501 0.81 ALDH1A1 (0.57) TDP1HCAR2L3MBTL1ALDH1A1HPGD
SCHEMBL14690907 0.80 TDP1 (0.54) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL448069 0.79 ALDH1A1 (0.55) TDP1HCAR2L3MBTL1ALDH1A1HPGD
SCHEMBL22832718 0.79 TDP1 (0.81) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL3486307 0.79 HCAR2 (0.58) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL872143 0.78 HCAR2 (0.61) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL983427 0.78 HCAR2 (0.61) TDP1HCAR2ESR1ESR2NPC1
SCHEMBL14694691 0.78 HCAR2 (0.61) TDP1HCAR2ESR1ESR2NPC1

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-9949961-B2 Agent for the prophylaxis and/or treatment of neoplastic diseases ROZIEV RAHIMDZHAN (RU) 2018-04-24 US disclosed
US-20160038472-A1 AGENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF NEOPLASTIC DISEASES TIATSEN LTD (RU) 2016-02-11 US disclosed
EP-2974726-A1 AGENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF NEOPLASTIC DISEASES Tiacen Ltd (RU) 2016-01-20 EP 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-20160038472-A1 AGENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF NEOPLASTIC DISEASES VHL, BRCA1, TSG101 TDP1 2331/4885HCAR2 786/4885ESR1 3139/4885

“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.