SCHEMBL6100007

SCHEMBL6100007

COC(=S)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA7 P43166 1/20 0.54
LMNA P02545 5/20 0.48
GAA P10253 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 6/20 0.42
ESR1 P03372 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 3/20 0.42
KMT2A Q03164 3/20 0.42
HIF1A Q16665 3/20 0.42
NR3C1 P04150 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
Thiobenzoic Acid SCHEMBL9789964 0.86 ESR1 (0.44) CA12CA1CA2CA9CA14
Thiobenzoic Acid SCHEMBL11605393 0.82 ESRRB (0.43) CA12CA1CA2CA9CA14
SCHEMBL9436697 0.80 TDP1 (0.54) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL11121048 0.78 CA1 (0.56) CA12CA1CA2CA9CA14
SCHEMBL1743889 0.78 ALDH1A1 (0.52) CA1CA2LMNAGAAALDH1A1
SCHEMBL9555499 0.78 HPGD (0.45) CA1CA2LMNAALDH1A1MAPT
SCHEMBL15222302 0.78 MAOA (0.46) CA1CA2LMNAGAAMAPT
SCHEMBL812710 0.77 TSHR (0.52) ALDH1A1MAPTMEN1CYP3A4ALOX15
SCHEMBL27907722 0.76 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL14870696 0.75 CA12 (0.59) CA12CA1CA2CA9CA14

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-7081449-B2 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides VALEANT RESEARCH & DEVELOPMENT (US) 2006-07-25 US disclosed
EP-1303282-A4 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC (US) 2004-04-07 EP disclosed
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides MDRNA RESEARCH, INC. 2003-07-31 US disclosed
EP-1303282-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES Ribapharm, Inc. (US) 2003-04-23 EP disclosed
WO-2002003997-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC. (US) 2002-01-17 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-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides DPYD, TYMP, PNPO CA12 3868/4885CA1 4057/4885CA2 3882/4885

“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.