SCHEMBL105772

SCHEMBL105772

O=C(O)CC(=O)Nc1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
ALDH1A1 P00352 3/20 0.59
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MITF O75030 1/20 0.52
POLB P06746 1/20 0.51
KLK7 P49862 1/20 0.51

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
SCHEMBL1753925 0.89 GAA (0.70) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL7095470 0.84 CYP1A1 (0.70) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL15489874 0.82 GAA (0.61) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL11575897 0.82 ALDH1A1 (0.62) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL410774 0.82 ALDH1A1 (0.64) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28804407 0.81 HDAC1 (0.73) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL3139569 0.81 POLB (0.70) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL6794740 0.81 GAA (0.66) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9843748 0.81 GAA (0.66) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL6832724 0.81 CYP1A1 (0.71) GAAALDH1A1KMT2ATHRBMEN1

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632028-B A kind of rich preparation method for Buddhist nun of card 上海再启生物技术有限公司 2019-01-22 CN claimed
CN-106632028-A Cabozantinib preparation method 上海再启生物技术有限公司 2017-05-10 CN claimed
CN-122036603-A Preparation method of anti-tumor drug cabatinib 新乡学院 2026-05-15 CN disclosed
CN-115160204-B Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2024-04-09 CN disclosed
CN-114044742-B Chiral primary amine malonamide compound and preparation method and application thereof 河北工业大学 2023-02-10 CN disclosed
CN-115160204-A Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2022-10-11 CN disclosed
CN-115003307-A Pharmaceutical composition for preventing or treating cancers associated with KRAS mutations 伟迈可生物有限公司 2022-09-02 CN disclosed
CN-114044742-A Chiral primary amine malonamide compound and preparation method and application thereof 河北工业大学 2022-02-15 CN disclosed
CN-106632028-B A kind of rich preparation method for Buddhist nun of card 上海再启生物技术有限公司 2019-01-22 CN disclosed
CN-106632028-A Cabozantinib preparation method 上海再启生物技术有限公司 2017-05-10 CN disclosed
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 EP disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
WO-2005116028-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 US disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 US disclosed
CN-1553899-A Quinoline and quinazoline derivatives inhibiting autophosphorylation of hepatocyte growth factor receptor and pharmaceutical compositions containing these compounds ������������ʽ���� 2004-12-08 CN disclosed
US-20040242603-A1 Quinoline derivative and quinazoline derivative inhibiting self-phosphorylation of hepatocytus proliferator receptor and medicinal composition containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-12-02 US disclosed
EP-1411046-A1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF−PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2004-04-21 EP 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 (5 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 GAA 1488/4885ALDH1A1 3087/4885HDAC3 1257/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 GAA 2824/4885ALDH1A1 3818/4885HDAC3 1876/4885
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A GAA 2591/4885ALDH1A1 2213/4885HDAC3 588/4885
US-20040242603-A1 Quinoline derivative and quinazoline derivative inhibiting self-phosphorylation of hepatocytus proliferator receptor and medicinal composition containing the same NR1H2, NR1H3, NR1H4 GAA 3840/4885ALDH1A1 3318/4885HDAC3 32/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 GAA 3521/4885ALDH1A1 1711/4885HDAC3 482/4885

“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.