SCHEMBL505263

SCHEMBL505263

COC(=O)c1c(F)c(F)c(Br)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SOS1 Q07889 1/20 0.37
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL522175 0.88 TSHR (0.61) TSHRMAPK1MAPTCA12CA1
SCHEMBL31361047 0.86 TSHR (0.41) TSHRMAPK1MAPTCA12CA1
SCHEMBL1719721 0.85 TSHR (0.59) TSHRMAPK1MAPTCA12CA1
SCHEMBL7198377 0.83 TSHR (0.57) TSHRMAPK1MAPTCA12CA1
SCHEMBL19478140 0.81 TSHR (0.43) TSHRMAPK1MAPTCA12CA1
SCHEMBL522412 0.80 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL27387387 0.79 PTPN1 (0.44) TSHRMAPK1MAPTCA12CA1
SCHEMBL17494394 0.79 SOS1 (0.40) TSHRMAPK1MAPTCA12CA1
SCHEMBL2878001 0.79 TSHR (0.53) TSHRMAPK1MAPTCA12CA1
SCHEMBL27511609 0.79 TSHR (0.53) TSHRMAPK1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016432-A1 COMPOUND HAVING ANTI-KRAS MUTANT TUMOR ACTIVITY 泰励生物科技(上海)有限公司 2025-01-23 WO disclosed
WO-2024153116-A1 KRAS G12D INHIBITORS AND USES THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2024-07-25 WO disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
US-11716900-B2 Host materials for electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-01 US disclosed
US-11716900-B2 Host materials for electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-01 US disclosed
US-11716900-B2 Host materials for electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-01 US disclosed
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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 (3 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD TSHR 2913/4885MAPK1 3576/4885MAPT 3410/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 TSHR 424/4885MAPK1 1451/4885MAPT 4365/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 TSHR 424/4885MAPK1 1451/4885MAPT 4365/4885

“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.