SCHEMBL1648192

SCHEMBL1648192

O=C(O)CSCCC(=O)OC(=O)CCSCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BHMT Q93088 1/20 0.44
MAPT P10636 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
MVD P53602 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 1/20 0.38
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4200738 0.82 TSHR (0.50) CYP2D6HIF1AHSD17B10LMNAKMT2A
Danosteine SCHEMBL1578704 0.79 HSD17B10 (0.72) CYP2D6HIF1AHSD17B10LMNAKMT2A
SCHEMBL1648168 0.79 ALDH1A1 (0.37) HSD17B10LMNAKMT2ATDP1ALDH1A1
SCHEMBL9573997 0.77 CYP2D6 (0.67) CYP2D6HIF1AHSD17B10BHMTMAPT
Danosteine SCHEMBL11664539 0.77 HSD17B10 (0.68) CYP2D6HIF1AHSD17B10LMNAKMT2A
SCHEMBL8546872 0.77 MAPT (0.41) CYP2D6HIF1AHSD17B10LMNAKMT2A
SCHEMBL1313188 0.76 CYP2D6 (0.73) CYP2D6HIF1AHSD17B10LMNAKMT2A
SCHEMBL6998791 0.74 TSHR (0.46) CYP2D6HIF1AHSD17B10LMNAKMT2A
SCHEMBL10707714 0.73 CYP2D6 (0.69) CYP2D6HIF1AHSD17B10LMNAKMT2A
Hydrochloric Acid SCHEMBL11144119 0.73 CYP2D6 (0.69) CYP2D6HIF1AHSD17B10LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8491929-B2 Bioadhesive polymers VAUNNEX INC. (US) 2013-07-23 US disclosed
US-20110086095-A1 Bioadhesive Polymers Spherics, Inc (MA) 2011-04-14 US disclosed
US-20100316712-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS COMBINATORX, INCORPORATED (US) 2010-12-16 US disclosed
EP-2063867-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS Combinatorx, Incorporated (US) 2009-06-03 EP disclosed
US-20080299204-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2008-12-04 US disclosed
WO-2008079404-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS COMBINATORX, INCORPORATED (US) 2008-07-03 WO disclosed
US-20080131492-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2008-06-05 US disclosed
EP-1901720-A2 IMPROVED DOSAGE FORMS FOR MOVEMENT DISORDER TREATMENT Spherics, Inc. (US) 2008-03-26 EP disclosed
WO-2008002471-A2 EROSION-STABILIZED BIOADHESIVE POLYMERS FUNCTIONALIZED OR BLENDED WITH CATECHOL AND DERIVATIVES THEREOF SPHERICS, INC. (US) 2008-01-03 WO disclosed
US-20070148238-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2007-06-28 US disclosed
WO-2007002516-A2 IMPROVED DOSAGE FORMS FOR MOVEMENT DISORDER TREATMENT SPHERICS, INC. (US) 2007-01-04 WO disclosed
WO-2007002318-A2 BIOADHESIVE POLYMERS SPHERICS, INC. (US) 2007-01-04 WO disclosed
US-20070003621-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2007-01-04 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-20110086095-A1 Bioadhesive Polymers CD44, EPCAM, ABCG2 CYP2D6 195/4885HIF1A 323/4885HSD17B10 1542/4885
US-20100316712-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS PARK7, SNCA, COMT CYP2D6 188/4885HIF1A 3829/4885HSD17B10 2155/4885
US-20070148238-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT CYP2D6 16/4885HIF1A 4466/4885HSD17B10 605/4885
US-20080131492-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT CYP2D6 16/4885HIF1A 4466/4885HSD17B10 605/4885
US-20070003621-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT CYP2D6 16/4885HIF1A 4466/4885HSD17B10 605/4885
US-20080299204-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT CYP2D6 16/4885HIF1A 4466/4885HSD17B10 605/4885

“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.