SCHEMBL2175455

SCHEMBL2175455

COC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.63
TSHR P16473 1/20 0.62
RAB9A P51151 2/20 0.58
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8107490 0.87 ALDH1A1 (0.77) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8114982 0.87 ALDH1A1 (0.57) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8123212 0.87 ALDH1A1 (0.57) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8113666 0.87 ALDH1A1 (0.60) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8115574 0.84 ALDH1A1 (0.64) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8115888 0.83 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8116423 0.83 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL8122562 0.82 ALDH1A1 (0.61) ALDH1A1TSHRRAB9AMAPK1CYP1A2
SCHEMBL8116864 0.82 ALDH1A1 (0.55) ALDH1A1TSHRRAB9AHSD17B10MAPK1
SCHEMBL30905509 0.82 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4647127-A2 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2025-11-12 EP disclosed
EP-3743070-B1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS INC (US) 2025-07-23 EP disclosed
CN-117820226-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-04-05 CN disclosed
CN-117624045-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-03-01 CN disclosed
CN-117603138-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-02-27 CN disclosed
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-02-08 US disclosed
CN-117402114-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-01-16 CN disclosed
CN-111757735-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2023-09-22 CN disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
EP-3743070-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2020-12-02 EP disclosed
CN-111757735-A Compounds for the treatment of kinase-dependent disorders 埃克塞里艾克西斯公司 2020-10-09 CN disclosed
WO-2019148044-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2019-08-01 WO disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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 (4 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-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 ALDH1A1 3310/4885TSHR 1037/4885RAB9A 1262/4885
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 ALDH1A1 3310/4885TSHR 1037/4885RAB9A 1262/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 ALDH1A1 887/4885TSHR 1179/4885RAB9A 469/4885
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 ALDH1A1 3310/4885TSHR 1037/4885RAB9A 1262/4885

“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.