SCHEMBL3496463

SCHEMBL3496463

O=C(CCS)Oc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 4/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 1/20 0.40
ACE P12821 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL3308160 0.90 ALDH1A1 (0.41) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL5352083 0.89 MMP1 (0.47) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL1803546 0.87 ALDH1A1 (0.43) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL829790 0.85 MMP1 (0.45) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL5342899 0.85 ALDH1A1 (0.49) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL29116765 0.84 MMP1 (0.44) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL8327418 0.82 KMT2A (0.47) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL4097244 0.81 MMP1 (0.47) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL921015 0.81 KMT2A (0.46) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL3910846 0.79 MMP1 (0.46) MMP1MMP2MMP9MMP12KMT2A

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
CN-114002318-B Method for detecting prostate specific antigen 深圳大学 2023-04-28 CN disclosed
CN-114002318-A Method for detecting prostate specific antigen 深圳大学 2022-02-01 CN disclosed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 MMP1 4636/4885MMP2 3218/4885MMP9 3334/4885

“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.