SCHEMBL6862954

SCHEMBL6862954

COc1ccc(C2SCC(CO)S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.40
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
MAOA P21397 2/20 0.38
KDM1A O60341 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.36
HTR2C P28335 1/20 0.36
KCNA5 P22460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5212503 0.87 GABRP (0.37) GAAALDH1A1
SCHEMBL9607650 0.84 HTR2C (0.46) PTGS1PTGS2GAAPOLBRAB9A
SCHEMBL6860783 0.82 POLB (0.33) PTGS1PTGS2GAAPOLBRAB9A
SCHEMBL6862850 0.82 MAPT (0.36) GAAKMT2ASLC5A1SLC5A2SMN1; SMN2
SCHEMBL6864599 0.82 MMP9 (0.47) KDM1ATSHRALDH1A1
SCHEMBL5204843 0.79 GABRP (0.31)
SCHEMBL6860853 0.79 MAPT (0.35) KDM1ASMN1; SMN2MAOBHTR2CMAPT
SCHEMBL6862816 0.78 SLC18A3 (0.34) PTGS2RAB9AKDM1AALDH1A1KDM4E
SCHEMBL6861068 0.78 SLC5A2 (0.38) POLBSLC5A1SLC5A2ALDH1A1
SCHEMBL6861257 0.76 PTGS1 (0.33) PTGS1PTGS2GAAPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
CN-1346829-A Acrylate compounds and use MITSUI CHEMICALS INC (JP) 2002-05-01 CN disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 PTGS1 303/4885PTGS2 1099/4885GAA 2345/4885

“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.