SCHEMBL1980894

SCHEMBL1980894

O=C(O)CS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TBXA2R P21731 4/20 0.41
CA2 P00918 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
AKR1B1 P15121 1/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP14 P50281 1/20 0.40
GAA P10253 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL16232168 0.78 MMP2 (0.50) MMP2MMP7MMP14HSD11B1
SCHEMBL776801 0.77 AKR1B1 (0.44) CA2AKR1B1CCR2KCNH2
SCHEMBL23358180 0.76 AKR1B1 (0.42) CES2CES1CA2AKR1B1CCR2
SCHEMBL29986069 0.74 TAS1R3 (0.50) LMNA
SCHEMBL24816196 0.74 TAS1R3 (0.50) LMNA
SCHEMBL10203496 0.73 MMP2 (0.63) CA2MMP2MMP7MMP14HSD11B1
SCHEMBL776555 0.73 AKR1B1 (0.41) CES2CES1CA2AKR1B1CCR2
SCHEMBL4175553 0.73 CA2 (0.45) CES2CES1CA2AKR1B1CCR2
SCHEMBL29391243 0.73 AKR1B1 (0.41) CES2CES1CA2AKR1B1LMNA
SCHEMBL795339 0.72 AKR1B1 (0.46) CES2CES1AKR1B1CA9CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889696-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2014-11-18 US disclosed
US-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-25 US disclosed
EP-2512250-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF Temple University - Of The Commonwealth System of Higher Education (US) 2012-10-24 EP disclosed
WO-2011075616-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-06-23 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-20120269831-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF MKI67, CCNA1, FOLR1 CES2 4040/4885CES1 2465/4885TBXA2R 415/4885

“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.