SCHEMBL376664

SCHEMBL376664

OC1(Cc2ccccc2F)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GRIN2B Q13224 4/20 0.38
CYP2A13 Q16696 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 2/20 0.34
OPRL1 P41146 2/20 0.33
NPC1 O15118 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30447423 0.83 HSD17B10 (0.34) ALDH1A1MAPK1SMN1; SMN2POLBGAA
SCHEMBL24203798 0.83 HSD17B10 (0.34) ALDH1A1MAPK1SMN1; SMN2POLBGAA
SCHEMBL376355 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1POLBCYP2A13
SCHEMBL376479 0.81 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2GRIN2BCYP2A13
SCHEMBL376848 0.81 CYP2A13 (0.37) ALDH1A1MAPK1SMN1; SMN2POLBGAA
SCHEMBL26011311 0.81 L3MBTL1 (0.35) ALDH1A1MAPK1SMN1; SMN2POLBGAA
SCHEMBL3216965 0.79 CHRM2 (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2POLB
SCHEMBL10192225 0.78 ALDH1A1 (0.44) ALDH1A1LMNAGRIN2BTSHRMEN1
SCHEMBL10191864 0.78 ALDH1A1 (0.44) ALDH1A1LMNAGRIN2BTSHRMEN1
SCHEMBL30448111 0.78 L3MBTL1 (0.35) ALDH1A1LMNAMAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
CN-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 CN disclosed
EP-4182299-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 Merck Sharp & Dohme LLC (US) 2023-05-24 EP disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 WO disclosed
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 US 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD ALDH1A1 2354/4885LMNA 141/4885MAPK1 4107/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885LMNA 141/4885MAPK1 4107/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 ALDH1A1 380/4885LMNA 1416/4885MAPK1 1431/4885

“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.