Sugi Predict

Sugi Predict / Compounds / SCHEMBL376479

SCHEMBL376479

SCHEMBL376479

Cc1ccccc1CC1(O)CCC2(CC1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.41
▸ GRIN2B Q13224 2/20 0.38
▸ CYP2A13 Q16696 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ UTS2R Q9UKP6 1/20 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

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) MAPK1ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL24203798 0.83 HSD17B10 (0.34) MAPK1ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL26011311 0.81 L3MBTL1 (0.35) MAPK1ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL376848 0.81 CYP2A13 (0.37) MAPK1CYP2A13ALDH1A1TSHRL3MBTL1
SCHEMBL376664 0.81 ALDH1A1 (0.38) MAPK1GRIN2BCYP2A13ALDH1A1TSHR
SCHEMBL376355 0.81 ALDH1A1 (0.42) MAPK1CYP2A13ALDH1A1L3MBTL1MEN1
SCHEMBL376813 0.79 MAPK1 (0.38) MAPK1CYP2A13ALDH1A1TSHRL3MBTL1
SCHEMBL5348277 0.78 GRIN2B (0.41) MAPK1GRIN2BALDH1A1TSHRMEN1
SCHEMBL24203765 0.78 L3MBTL1 (0.35) MAPK1ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL4826740 0.77 OPRL1 (0.51) MAPK1GRIN2BALDH1A1TSHRL3MBTL1

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 6 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-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 MAPK1 4107/4885GRIN2B 2933/4885CYP2A13 4087/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD MAPK1 4107/4885GRIN2B 2933/4885CYP2A13 4087/4885

“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.