SCHEMBL4729014

SCHEMBL4729014

CC(=O)c1cc(C(=O)O)cc(-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.65
▸ MAPT P10636 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ KMO O15229 1/20 0.57
▸ EGFR P00533 1/20 0.52
▸ FABP1 P07148 1/20 0.50
▸ P2RY14 Q15391 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RXRA P19793 3/20 0.46
▸ RXRB P28702 3/20 0.46

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
SCHEMBL15835584 0.92 DHODH (0.58) DHODHMAPTSMN1; SMN2EGFRLMNA
SCHEMBL10046636 0.90 MAPT (0.68) DHODHMAPTSMN1; SMN2KMOEGFR
SCHEMBL15835579 0.89 DHODH (0.48) DHODHMAPTSMN1; SMN2LMNARXRA
SCHEMBL27736451 0.89 DHODH (0.77) DHODHKMOEGFRFABP1P2RY14
SCHEMBL1768904 0.89 DHODH (0.77) DHODHKMOEGFRFABP1P2RY14
SCHEMBL15835580 0.88 RXRA (0.60) DHODHMAPTSMN1; SMN2EGFRRXRA
SCHEMBL23671728 0.87 DHODH (0.81) DHODHMAPTSMN1; SMN2KMOEGFR
Hydrochloric Acid SCHEMBL9622264 0.87 DHODH (0.74) DHODHKMOEGFRFABP1P2RY14
SCHEMBL28462472 0.87 DHODH (0.75) DHODHKMOEGFRFABP1P2RY14
Hydrochloric Acid SCHEMBL29446586 0.87 DHODH (0.74) DHODHKMOEGFRFABP1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 — — WO disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 — — 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-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NUDT1, PNP, NME2 DHODH 376/4885MAPT 4509/4885SMN1; SMN2 2041/4885

“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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