SCHEMBL6642984

SCHEMBL6642984

COC(=O)c1cc(F)c(F)c(OCC(=O)O)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 1/20 0.39
▸ CASP3 P42574 3/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ ACLY P53396 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6646364 0.84 KDM4E (0.39) TSHRSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL6645891 0.82 KDM4E (0.39) SMN1; SMN2KDM4EMAPTALDH1A1HTT
SCHEMBL13382341 0.82 TSHR (0.56) TSHRSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL2831221 0.80 KDM4E (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL1994444 0.76 MAPT (0.43) TSHRSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL31579013 0.75 FFAR4 (0.46) SMN1; SMN2KDM4EMAPTALDH1A1HTT
SCHEMBL7441202 0.74 HSD17B10 (0.35) TSHRSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL3410954 0.72 MAPT (0.48) TSHRSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL5469287 0.72 CRBN (0.37) TSHRSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL6647182 0.72 MAPT (0.40) TSHRSMN1; SMN2KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 — — EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 — — US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 — — 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 TSHR 2363/4885SMN1; SMN2 4744/4885KDM4E 1886/4885

“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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