SCHEMBL26075892

SCHEMBL26075892

COCc1ccccc1-c1ccc(-c2cc(C)c3cc(P)ccc3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ DHODH Q02127 2/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ ALOX5AP P20292 6/20 0.34
▸ FEN1 P39748 6/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL26075310 0.90 DHODH (0.42) S1PR1S1PR3ESR1ESR2DHODH
SCHEMBL26075395 0.86 ACP1 (0.39) S1PR1S1PR3ESR1ESR2DHODH
SCHEMBL26075889 0.85 ESR1 (0.38) S1PR1S1PR3ESR1ESR2DHODH
SCHEMBL26075901 0.84 ESR1 (0.36) ESR1ESR2ALOX5APFEN1PDE3B
SCHEMBL26075890 0.83 ESR1 (0.38) S1PR1S1PR3ESR1ESR2DHODH
SCHEMBL26075875 0.82 PDE10A (0.44) ALOX5APFEN1PDE3A
SCHEMBL26075396 0.80 DHODH (0.44) S1PR1S1PR3ESR1ESR2DHODH
SCHEMBL26075891 0.79 DHODH (0.44) ESR1ESR2DHODHFEN1ACACA
SCHEMBL26075865 0.79 ACACA (0.46) ACACA
SCHEMBL26074087 0.79 DHODH (0.47) DHODHACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-09-28 — — 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-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT DHODH, CD38, DPYD S1PR1 1996/4885S1PR3 2218/4885ESR1 4427/4885

“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.

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