SCHEMBL23832295

SCHEMBL23832295

CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 9/20 0.42
▸ RORC P51449 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ AGTR1 P30556 1/20 0.33
▸ AGTR2 P50052 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
SCHEMBL30104788 1.00 ACSS2 (0.42) ACSS2RORCALDH1A1HPGDKDM4E
SCHEMBL25367234 0.88 ACSS2 (0.43) ACSS2RORCALDH1A1HPGDKDM4E
SCHEMBL25369178 0.87 ACSS2 (0.53) ACSS2RORC
SCHEMBL25369467 0.86 ACSS2 (0.54) ACSS2ALDH1A1HPGDKDM4EAGTR1
SCHEMBL30104815 0.83 HTR2A (0.37) ACSS2ALDH1A1
SCHEMBL23832153 0.83 HTR2A (0.37) ACSS2ALDH1A1
SCHEMBL23843513 0.82 ACSS2 (0.46) ACSS2HPGDKDM4E
SCHEMBL30640969 0.82 ACSS2 (0.46) ACSS2HPGDKDM4E
SCHEMBL23832307 0.82 ACSS2 (0.64) ACSS2ALDH1A1HPGDKDM4E
SCHEMBL25367861 0.79 ACSS2 (0.40) ACSS2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US claimed
EP-4121429-B1 CONDENSED PYRIDINE DERIVATIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2025-08-13 — — EP disclosed
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US disclosed
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US disclosed
EP-4121429-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS Merck Patent GmbH (DE) 2023-01-25 — — EP disclosed
WO-2021185789-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2021-09-23 — — WO disclosed
WO-2021185789-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2021-09-23 — — 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-20230271956-A1 AMIDE DERIVATIVES BRCA1, HRAS, PCNA ACSS2 201/4885RORC 1847/4885ALDH1A1 1250/4885

“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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