SCHEMBL377003

SCHEMBL377003

COC1(Cc2ccccc2F)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2A13 Q16696 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TSHR P16473 2/20 0.34
IDO1 P14902 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MCL1 Q07820 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL376813 0.84 MAPK1 (0.38) ALDH1A1POLBGAAMAPK1CYP2A13
SCHEMBL376997 0.83 TAAR1 (0.35) ALDH1A1POLBGAACYP2A13TSHR
SCHEMBL376854 0.83 ALDH1A1 (0.38) ALDH1A1POLBCYP2A13KDM4EIDO1
SCHEMBL4821650 0.79 MAOA (0.38) ALDH1A1POLBGAAMAPK1SMN1; SMN2
SCHEMBL3216965 0.78 CHRM2 (0.40) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL376664 0.78 ALDH1A1 (0.38) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL8111586 0.78 SLC6A2 (0.39) ALDH1A1POLBKDM4EIDO1KMT2A
SCHEMBL13503988 0.77 ALDH1A1 (0.35) ALDH1A1LMNAGAAKDM4EIDO1
SCHEMBL376839 0.77 KMT2A (0.36) ALDH1A1POLBKDM4ETSHRIDO1
SCHEMBL13503628 0.73 OPRL1 (0.36) MAPK1SMN1; SMN2IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 141/4885POLB 151/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885LMNA 141/4885POLB 151/4885

“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.