SCHEMBL19296902

SCHEMBL19296902

Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4c(F)c(F)c(NCCS)c(F)c4F)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.36
▸ TOP1 P11387 1/20 0.34
▸ TERT O14746 3/20 0.34
▸ CYCS P99999 3/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33

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
SCHEMBL19854867 0.89 TERT (0.38) DHODHTOP1TERTCYCS
SCHEMBL24221269 0.86 DHODH (0.38) DHODHTOP1TERTCYCS
SCHEMBL19289802 0.86 HSP90AA1 (0.36) DHODHTOP1TERTENPP2
SCHEMBL17651811 0.85 TOP1 (0.43) DHODHTOP1TERTCYCSENPP2
SCHEMBL17651778 0.85 TOP1 (0.43) DHODHTOP1TERTCYCSENPP2
SCHEMBL31310006 0.85 DHODH (0.33) DHODHTOP1TERTCYCSENPP2
SCHEMBL19278958 0.85 DHODH (0.33) DHODHTOP1TERTCYCSENPP2
SCHEMBL19278972 0.84 DHODH (0.37) DHODHTOP1TERTCYCS
SCHEMBL19278960 0.84 DHODH (0.33) DHODHTOP1TERTCYCSENPP2
SCHEMBL19293923 0.84 DHODH (0.35) DHODHTOP1TERTCYCS

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-20170247384-A1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2017-08-31 — — 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-20170247384-A1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY FPGS, PPOX, UROD DHODH 191/4885TOP1 661/4885TERT 1979/4885

“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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