SCHEMBL9625952

SCHEMBL9625952

c1csc(Cc2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
CTSC P53634 1/20 0.44
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
OPRK1 P41145 1/20 0.43
CTRC Q99895 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL19361050 0.79 CYP1A2 (0.41) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL2838141 0.77 CYP1A2 (0.65) CYP2D6CYP1A2CYP2A6ALOX5CTRC
SCHEMBL28300839 0.77 MET (0.51) ALDH1A1TSHR
SCHEMBL45228 0.76 LMNA (0.50) SLC6A3ALDH1A1HPGDPTGS1PTGS2
SCHEMBL4084648 0.74 PTGS1 (0.57) ALDH1A1HPGDPTGS1PTGS2LMNA
SCHEMBL6222184 0.74 CA1 (0.57) CYP2D6SLC6A2SLC6A3CYP1A2ALOX5
SCHEMBL29152299 0.74 PTGS1 (0.51) ALDH1A1HPGDPTGS1PTGS2LMNA
SCHEMBL7079573 0.74 L3MBTL1 (0.66) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL28047877 0.74 KCNH2 (0.46) CYP3A4KCNH2GAAPTGS1PTGS2
SCHEMBL9825918 0.74 LMNA (0.49) SLC6A3ALDH1A1HPGDPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800895-B2 Polymer slides having hydrophobic small molecules STRATEC CONSUMABLES GmbH (AT) 2020-10-13 US disclosed
US-10611890-B2 Method of producing a polymer part and polymer part STRATEC CONSUMABLES GmbH (AT) 2020-04-07 US disclosed
EP-2792471-B1 Polymer parts STRATEC CONSUMABLES GmbH (AT) 2018-01-31 EP disclosed
US-20170029587-A1 METHOD OF PRODUCING A POLYMER PART AND POLYMER PART STRATEC CONSUMABLES GmbH (AT) 2017-02-02 US disclosed
EP-2792471-A1 Polymer parts Sony DADC Austria AG (AT) 2014-10-22 EP disclosed
US-20140309375-A1 METHOD OF PRODUCING A POLYMER PART AND POLYMER PART SONY DADC AUSTRIA AG (AT) 2014-10-16 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
EP-0326297-B1 THIOFORMAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1992-03-18 EP disclosed
US-4959385-A MUSCLE RELAXANTS MAY & BAKER LIMITED (GB) 1990-09-25 US disclosed
EP-0326297-A1 Thioformamide derivatives MAY & BAKER LIMITED (GB) 1989-08-02 EP disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed
EP-0014455-A2 Cyclopropane(thiol)carboxylic-acid esters, processes for their preparation, pesticides containing such compounds and the use of such compounds as pesticides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-08-20 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-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA CYP2D6 468/4885CYP3A4 172/4885SLC6A2 3223/4885

“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.