SCHEMBL13440

SCHEMBL13440

CCC(F)(F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KCNN4 O15554 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
PTPN1 P18031 1/20 0.39
DAO P14920 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL10908608 0.87 KIF11 (0.42) TSHRALDH1A1KCNN4PTPN1KIF11
SCHEMBL14574057 0.83 MAOA (0.43) ALDH1A1TAAR1PTPN1TP53
SCHEMBL1097922 0.80 TSHR (0.46) TSHRALDH1A1KCNN4TAAR1PTPN1
SCHEMBL3627861 0.77 ALDH1A1 (0.48) TSHRALDH1A1KCNN4TAAR1PTPN1
SCHEMBL19426802 0.77 TSHR (0.46) TSHRCA1CA2CA5ACA9
SCHEMBL17885859 0.77 ALDH1A1 (0.48) TSHRALDH1A1KCNN4TAAR1PTPN1
SCHEMBL4011580 0.77 TSHR (0.55) TSHRALDH1A1KCNN4TAAR1PTPN1
SCHEMBL12409056 0.77 ALDH1A1 (0.42) TSHRALDH1A1KCNN4TAAR1DAO
SCHEMBL13063690 0.77 TSHR (0.48) TSHRALDH1A1TAAR1MAPK1CA1
SCHEMBL1706355 0.76 TSHR (0.52) TSHRALDH1A1KCNN4TAAR1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230543-A1 INDOLIZINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
CN-108697091-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2018-10-23 CN disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
WO-2016196593-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-08 WO disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO disclosed
US-20110294813-A1 OXAZOLIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SHIONOGI & CO., LTD. (JP) 2011-12-01 US disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
EP-1745003-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-27 EP disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
EP-0142764-A2 Fluorinated fluorides of esters of thiocarbonic acid and beta-ketotrihalogenomethylthio ethers BAYER AG (DE) 1985-05-29 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 (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-20110294813-A1 OXAZOLIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD17B3, HSD17B1, HSD3B1 TSHR 2273/4885ALDH1A1 113/4885KCNN4 3321/4885
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 TSHR 2235/4885ALDH1A1 4004/4885KCNN4 3311/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 TSHR 650/4885ALDH1A1 86/4885KCNN4 965/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TSHR 4357/4885ALDH1A1 3872/4885KCNN4 4880/4885

“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.