SCHEMBL18407419

SCHEMBL18407419

CCCCCc1oc2ccccc2c(=O)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 9/20 0.58
▸ EYA3 Q99504 2/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ TTR P02766 1/20 0.52
▸ NR1H4 Q96RI1 1/20 0.51
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL18415631 0.96 PTPN1 (0.61) CYP2C9EYA3PTPN1TTRNR1H4
SCHEMBL2944813 0.86 PTPN1 (0.69) EYA3PTPN1TTRNR1H4THRA
SCHEMBL18407416 0.85 ALDH1A1 (0.58) CYP2C9EYA3PTPN1TTR
Hydrochloric Acid SCHEMBL9347277 0.85 PTPN1 (0.67) EYA3PTPN1TTRNR1H4THRA
SCHEMBL9760347 0.84 CYP2C9 (0.68) CYP2C9EYA3PTPN1TTRNR1H4
SCHEMBL29096698 0.84 EYA3 (0.60) CYP2C9EYA3PTPN1TTRNR1H4
SCHEMBL957193 0.82 PTPN1 (0.53) CYP2C9EYA3PTPN1TTR
SCHEMBL11785448 0.82 EYA3 (0.64) CYP2C9EYA3PTPN1TTRNR1H4
SCHEMBL19732866 0.81 PTPN1 (0.52) CYP2C9EYA3PTPN1TTR
SCHEMBL31314563 0.80 EYA3 (0.61) CYP2C9EYA3PTPN1TTRNR1H4

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-20170022165-A1 PQSR MODULATORS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2017-01-26 — — 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-20170022165-A1 PQSR MODULATORS QARS1, SRPRA, MRPS35 CYP2C9 2135/4885EYA3 3012/4885PTPN1 648/4885

“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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