SCHEMBL2183620

SCHEMBL2183620

O=C(O)CC1(S)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
USP2 O75604 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
CACNA2D1 P54289 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 3/20 0.40
MME P08473 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7320389 1.00 CYP2C19 (0.54) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL7317737 0.97 CYP2C19 (0.50) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL15919215 0.87
SCHEMBL2192649 0.76 CYP2C19 (0.35) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3421776 0.74 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL98282 0.74 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
Cyclohexane SCHEMBL9536108 0.74 CYP2C19 (0.58) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3345554 0.74 CYP2C19 (0.58) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2871721 0.74 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL10602483 0.74 ALDH1A1 (0.74) CYP2C19ALDH1A1CYP1A2USP2LMNA

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 363 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438925-A2 Compounds that modulate neuronal growth and their uses Wyeth LLC (US) 2012-04-11 EP claimed
EP-0937103-B1 COMPOUNDS AND METHODS FOR MODULATING CELL ADHESION UNIV MCGILL (CA) 2007-11-28 EP claimed
EP-1042365-B1 COMPOUNDS AND METHODS FOR MODULATING OCCLUDIN RELATED TISSUE PERMEABILITY ADHEREX TECHNOLOGIES INC (CA) 2007-07-25 EP claimed
US-7138369-B2 Compounds and methods for modulating apoptosis MCGILL UNIVERSITY (CA) 2006-11-21 US claimed
US-20060183884-A1 Compounds and methods for modulating cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2006-08-17 US claimed
US-20050164920-A1 Compounds that modulate neuronal growth and their uses WYETH (US) 2005-07-28 US claimed
US-6914044-B2 Compounds and methods for modulating cell adhesion MCGILL UNIVERSITY (CA) 2005-07-05 US claimed
US-20040106545-A1 Compounds and methods for modulating cell adhesion ADHEREX TECHNOLOGIES INC. (CA) 2004-06-03 US claimed
US-20030224978-A1 Compounds and methods for modulating apoptosis MCGILL UNIVERSITY (CA) 2003-12-04 US claimed
US-6610821-B1 Cyclic peptide of given amino acid sequence; can use to improve drug delivery process, inhibit angiogenesis, increase vasopermeability; treatment of autoimmune and inflammatory diseases MCGILL UNIVERSITY (CA) 2003-08-26 US claimed
US-6031072-A CYCLIC PEPTIDE WHICH MODULATES CADHERIN-MEDIATED PROCESSES; COMPRISING THE SEQUENCE HIS-ALA-VAL WITHIN A CYCLIC PEPTIDE RING THAT CONTAINS 4-15 AMINO ACIDS; FOR IMPROVED DRUG DELIVERY; ANTIMETASTASIS AGENTS MCGILL UNIVERSITY (CA) 2000-02-29 US claimed
US-5955572-A CYCLIC PEPTIDES THAT MIMIC THE ARGININE-GLYCINE-ASPARTIC ACID BINDING SITE OF INTEGRINS; FOR MODULATING THE CELL AGGREGATION AND CELL ADHESION; THROMBOLYTIC/ANTIINFLAMMATORY AGENTS; ANTIMETASTASIS/WOUND HEALING AGENTS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1999-09-21 US claimed
WO-1999033875-A1 COMPOUNDS AND METHODS FOR MODULATING SYNAPTIC STABILITY MCGILL UNIVERSITY (CA) 1999-07-08 WO claimed
US-5817750-A INTEGRINS, INHIBITING CELL ADHESION LA JOLLA CANCER RESEARCH FOUNDATION (US) 1998-10-06 US claimed
WO-1997008203-A1 STRUCTURAL MIMICS OF RGD-BINDING SITES LA JOLLA CANCER RESEARCH FOUNDATION (US) 1997-03-06 WO claimed
EP-0537291-A4 METHOD OF TREATING NAUSEA AND EMESIS RELATED TO MOTION SICKNESS 1993-07-28 EP claimed
EP-0537291-A1 METHOD OF TREATING NAUSEA AND EMESIS RELATED TO MOTION SICKNESS SMITHKLINE BEECHAM CORPORATION (US) 1993-04-21 EP claimed
WO-1992000094-A1 METHOD OF TREATING NAUSEA AND EMESIS RELATED TO MOTION SICKNESS SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO claimed
US-4684716-A VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-08-04 US claimed
EP-0189326-A2 Derivatives of arginine vasopressin antagonists Medical College of Ohio (US) 1986-07-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040106545-A1 Compounds and methods for modulating cell adhesion CDH1, EPCAM, VCAM1 CYP2C19 4875/4885ALDH1A1 3559/4885CYP1A2 4884/4885
US-20030224978-A1 Compounds and methods for modulating apoptosis CDH1, BAX, BAD CYP2C19 4877/4885ALDH1A1 4367/4885CYP1A2 4885/4885
US-20060183884-A1 Compounds and methods for modulating cell adhesion CDH1, EPCAM, VCAM1 CYP2C19 4875/4885ALDH1A1 3559/4885CYP1A2 4884/4885
US-20050164920-A1 Compounds that modulate neuronal growth and their uses NTRK2, BDNF, NGF CYP2C19 4875/4885ALDH1A1 4321/4885CYP1A2 4855/4885

“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.