SCHEMBL8577695

SCHEMBL8577695

O=Cc1cc(S)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ERN1 O75460 7/20 0.44
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
VCAM1 P19320 1/20 0.41
BACE1 P56817 1/20 0.39
TSHR P16473 3/20 0.38
ALDH3A1 P30838 1/20 0.38
EGFR P00533 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 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
SCHEMBL14468256 0.83 BACE1 (0.38) CYP3A4KDM4EMAPTBACE1TSHR
SCHEMBL16838212 0.78 ALDH5A1 (0.59) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL1800032 0.78 ERN1 (0.65) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL3894725 0.77 TDP1 (0.60) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL371170 0.77 TSHR (0.62) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL564611 0.77 ATM (0.60) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL274241 0.77 ERN1 (0.50) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL1014901 0.77 BACE1 (0.63) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL40312 0.77 MAPK1 (0.60) CYP3A4KDM4EALDH1A1MAPTALOX15
SCHEMBL4941247 0.77 CYP3A4 (0.47) CYP3A4KDM4EALDH1A1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143464-A Method for preparing organic pigment easy to disperse in plastic 江苏乾润新材料科技有限公司 2023-12-01 CN disclosed
US-20110212048-A1 POLYMALIC ACID-BASED MULTIFUNCTIONAL DRUG DELIVERY SYSTEM CEDARS-SINAI MEDICAL CENTER (US) 2011-09-01 US disclosed
US-7935677-B2 Polymalic acid-based multi-functional drug delivery system CEDARS-SINAI MEDICAL CENTER (US) 2011-05-03 US disclosed
US-5783384-A Selection of binding-molecules PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-07-21 US disclosed
WO-1996007676-A1 POLYMERIC RESIN FOR DISULFIDE BOND SYNTHESIS EKAGEN CORPORATION (US) 1996-03-14 WO disclosed
EP-0623141-A1 SELECTION OF BINDING-MOLECULES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1994-11-09 EP disclosed
WO-1993014108-A1 SELECTION OF BINDING-MOLECULES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1993-07-22 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-20110212048-A1 POLYMALIC ACID-BASED MULTIFUNCTIONAL DRUG DELIVERY SYSTEM SLC43A1, HACD3, HACD2 CYP3A4 3664/4885KDM4E 1687/4885ALDH1A1 4227/4885

“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.