SCHEMBL1184986

SCHEMBL1184986

CSc1nccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.43
ADRB1 P08588 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CXCR4 P61073 1/20 0.40
LRRK2 Q5S007 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL29906009 1.00 SYK (0.43) SYKADRB1KDM4ELMNAALDH1A1
SCHEMBL18581 0.85 LMNA (0.38) SYKKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL13019476 0.82 LMNA (0.39) SYKKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL6250182 0.80 ADRB1 (0.40) SYKADRB1LRRK2HDAC3NCOR1
SCHEMBL8345900 0.79 HDAC3 (0.42) SYKADRB1KDM4EALDH1A1LRRK2
SCHEMBL23121276 0.79 ALOX15 (0.40) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL750287 0.77 CCNT1 (0.38) KDM4ELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL12933370 0.77 HDAC3 (0.40) SYKADRB1LMNAALDH1A1SMN1; SMN2
SCHEMBL12963514 0.77 HDAC3 (0.40) SYKADRB1KDM4ELMNAALDH1A1
SCHEMBL16538500 0.76 KCNH2 (0.42) LMNAPOLB

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-2023028338-A2 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 CN disclosed
CN-103534240-A Selective FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD 2014-01-22 CN disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
CN-101528699-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-09 CN disclosed
EP-1951673-A2 HETEROCYCLIC CETP INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 EP disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
EP-0285978-A2 Substituted 1-(2-oxyaminosulfonyl-phenylsulfonyl)-3-(4-trifluoromethyl-pyrimidin-2-yl)-(thio)-ureas BAYER AG (DE) 1988-10-12 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 (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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SYK 4481/4885ADRB1 636/4885KDM4E 1618/4885

“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.