SCHEMBL764943

SCHEMBL764943

CCC(F)(F)CCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TET2 Q6N021 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
SCHEMBL31387794 0.89 TSHR (0.57) TSHRCA12CA14KMT2AMEN1
SCHEMBL27286986 0.83 CES2 (0.31) ALDH1A1
SCHEMBL11061588 0.83 TSHR (0.50) TSHRCA12CA14KMT2AMEN1
SCHEMBL11619348 0.82 TSHR (0.55) TSHRCA12CA14KMT2AMEN1
SCHEMBL15071363 0.81 TSHR (0.48) TSHRCA12CA14KMT2AMEN1
SCHEMBL31163774 0.81 TSHR (0.48) TSHRCA12CA14KMT2AMEN1
SCHEMBL31252287 0.81 TSHR (0.48) TSHRCA12CA14KMT2AMEN1
SCHEMBL15071341 0.81 CYP1A2 (0.45) TSHRKMT2AMEN1LMNAHSD17B10
SCHEMBL31387753 0.81 TSHR (0.54) TSHRCA12CA14KMT2AMEN1
SCHEMBL9103267 0.79 TSHR (0.57) TSHRCA12CA14KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174960-B Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds 吉利德科学公司 2023-10-10 CN disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885CA12 4864/4885CA14 4873/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885CA12 3900/4885CA14 4026/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885CA12 3900/4885CA14 4026/4885

“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.