SCHEMBL3677776

SCHEMBL3677776

CC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
HTR1A P08908 1/20 0.47
CHRNB2 P17787 1/20 0.47
TBXA2R P21731 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
FABP3 P05413 1/20 0.47
GALR3 O60755 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL13854471 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CHRM5CHRM1CHRM3PGR
SCHEMBL26642448 0.86 FABP3 (0.54) SMN1; SMN2FABP3P2RY10GPR174GPR34
SCHEMBL14338125 0.86 FABP3 (0.54) SMN1; SMN2FABP3P2RY10GPR174GPR34
SCHEMBL13212932 0.84 SMN1; SMN2 (0.53) SMN1; SMN2FABP3P2RY10GPR174GPR34
SCHEMBL19821626 0.84 SMN1; SMN2 (0.69) SMN1; SMN2CHRM5CHRM1CHRM3PGR
SCHEMBL7935832 0.84 SMN1; SMN2 (0.69) SMN1; SMN2CHRM5CHRM1CHRM3PGR
SCHEMBL26642068 0.83 FABP3 (0.61) SMN1; SMN2FABP3P2RY10GPR174GPR34
SCHEMBL26642060 0.83 FABP3 (0.61) SMN1; SMN2FABP3P2RY10GPR174GPR34
SCHEMBL14823175 0.83 P2RY10 (0.47) P2RY10GPR174GPR34LPAR6LPAR1
SCHEMBL5959434 0.83 FABP3 (0.60) SMN1; SMN2CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250319190-A1 APOE LIPOPROTEIN SYSTEMS KISBEE THERAPEUTICS INC (US) 2025-10-16 US disclosed
WO-2023220387-A2 APOE LIPOPROTEIN SYSTEMS KISBEE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20160024125-A1 NATURAL LIPIDS CONTAINING NON-OXIDIZABLE FATTY ACIDS BERGEN TEKNOLOGIOVERFØRING AS (NO) 2016-01-28 US disclosed
US-8343934-B2 Diverse lead compound autotaxin inhibitors UNIVERSITY OF MEMPHIS (US) 2013-01-01 US disclosed
US-20120264966-A1 SULFUR-CONTAINING PHOSPHOLIPID DERIVATIVES MILLER ANDREW DAVID (GB) 2012-10-18 US disclosed
US-8268891-B1 Autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
US-8178713-B2 Sulfur-containing phospholipid derivatives Pronovo Biopharma Norge AS (NO) 2012-05-15 US disclosed
US-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS 2012-04-26 US disclosed
US-8022239-B2 Mechanism-based inactivators of autotaxin THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2011-09-20 US disclosed
US-20110160148-A1 Novel Diverse Lead Compound Autotaxin Inhibitors THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2011-06-30 US disclosed
US-20100136650-A1 MECHANISM-BASED INACTIVATORS OF AUTOTAXIN THE UNIVERSITY OF MEMPHIS 2010-06-03 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 (6 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-20110160148-A1 Novel Diverse Lead Compound Autotaxin Inhibitors ENPP2, ABHD16A, PLAAT2 SMN1; SMN2 2725/4885CHRM5 4060/4885CHRM1 4496/4885
US-20250319190-A1 APOE LIPOPROTEIN SYSTEMS APOB, APOL1, LDLR SMN1; SMN2 1150/4885CHRM5 3954/4885CHRM1 4574/4885
US-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS ENPP2, PLA2G6, PLA2G10 SMN1; SMN2 3521/4885CHRM5 2959/4885CHRM1 3149/4885
US-20120264966-A1 SULFUR-CONTAINING PHOSPHOLIPID DERIVATIVES SGMS2, SGMS1, PLA2G4C SMN1; SMN2 4085/4885CHRM5 411/4885CHRM1 710/4885
US-20100136650-A1 MECHANISM-BASED INACTIVATORS OF AUTOTAXIN ENPP2, PLA2G12A, PLA2G10 SMN1; SMN2 3344/4885CHRM5 2266/4885CHRM1 2276/4885
US-20160024125-A1 NATURAL LIPIDS CONTAINING NON-OXIDIZABLE FATTY ACIDS FASN, ELOVL1, FADS1 SMN1; SMN2 4417/4885CHRM5 4725/4885CHRM1 4837/4885

“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.