SCHEMBL11976682

SCHEMBL11976682

Cc1cccc(C)c1Cn1c(C(F)(F)F)nc2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.52
▸ SLC22A12 Q96S37 7/20 0.51
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11976859 0.88 ACSS2 (0.53) ACSS2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL16587410 0.84 SLC22A12 (0.56) ACSS2SLC22A12
SCHEMBL6169381 0.80 ACSS2 (0.52) ACSS2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL11976860 0.79 KDM4E (0.54) ACSS2TP53ALDH1A1APEX1
SCHEMBL11977348 0.74 SLC22A12 (0.58) SLC22A12CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL16752300 0.74 SLC22A12 (0.74) SLC22A12
SCHEMBL6170515 0.73 SLC22A12 (0.58) ACSS2SLC22A12
SCHEMBL4048200 0.72 CYP2C9 (0.63) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL11975818 0.72 SLC22A12 (0.62) SLC22A12MEN1KMT2A
SCHEMBL16587411 0.72 KDM4E (0.56) ACSS2SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 — — US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 — — US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
WO-2012102405-A1 RING-FUSED COMPOUND 佐藤製薬株式会社 (JP) 2012-08-02 — — 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-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 ACSS2 1340/4885SLC22A12 394/4885CYP2C9 2281/4885

“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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