SCHEMBL454490

SCHEMBL454490

NC(=S)c1ccc(O)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ALOX15 P16050 3/20 0.48
ESR1 P03372 1/20 0.40
PRKCI P41743 1/20 0.39
ASH1L Q9NR48 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5092572 0.79 CA12 (0.50) PRKCIASH1LHTTSMN1; SMN2POLB
SCHEMBL2824995 0.78 LCK (0.53) CTSLCTSBALOX15ESR1HTT
SCHEMBL7461280 0.78 CA12 (0.41) CTSLCTSBPRKCIASH1LHTT
SCHEMBL12581534 0.78 PLAU (0.53) CTSLCTSBALOX15LMNA
SCHEMBL20241866 0.77 HTT (0.41) PRKCIHTTSMN1; SMN2CYP1A2POLB
Hydrochloric Acid SCHEMBL9244161 0.77 F2 (0.51) ALOX15LMNA
SCHEMBL1459704 0.77 HPGD (0.47) HTTSMN1; SMN2ALOX12MEN1ALDH1A1
SCHEMBL18003362 0.77 CTSL (0.50) CTSLPRKCIHTTSMN1; SMN2CYP1A2
SCHEMBL19523347 0.74 SMN1; SMN2 (0.53) ESR1PRKCIASH1LHTTSMN1; SMN2
SCHEMBL29748630 0.73 ALDH1A1 (0.53) ALOX15ESR1HTTCYP1A2POLB

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
EP-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 EP disclosed
WO-2014121695-A1 NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 镇江新元素医药科技有限公司 (CN) 2014-08-14 WO disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO 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-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE FIP1L1, UMPS, UBXN4 CTSL 467/4885CTSB 1375/4885ALOX15 1520/4885

“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.