SCHEMBL6319947

SCHEMBL6319947

CO[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PREP P48147 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18569430 0.88 ABCB1 (0.44) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL30054860 0.88 ABCB1 (0.44) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL16402973 0.88 ABCB1 (0.44) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL6803097 0.87 POLB (0.43) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL3980427 0.87 ABCB1 (0.45) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL3902022 0.87 ABCB1 (0.45) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL17691237 0.87 ABCB1 (0.43) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL16403080 0.86 SMN1; SMN2 (0.45) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL16401291 0.86 SMN1; SMN2 (0.45) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL9372895 0.86 POLB (0.45) POLBHTR2CPSEN1PSEN2APH1B

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-9062066-B2 Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases and pharmaceutical composition containing same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-06-23 US disclosed
US-9062066-B2 Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases and pharmaceutical composition containing same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-06-23 US disclosed
US-20130072482-A1 ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME PHAROSBIOMED CO., LTD. (KR) 2013-03-21 US disclosed
US-20130072482-A1 ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME PHAROSBIOMED CO., LTD. (KR) 2013-03-21 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
US-6833456-B2 Heterocyclic sulfides such as 5-(2-(2R-Hydroxymethyl-pyrrolidine-1-carbonyl)-thieno(3,2-b)pyridin-7 -ylamino)-2-methyl-indole-1-carboxylic acid methylamide, used as angiogenesis inhibitors AGOURON PHARMACEUTICALS, INC. 2004-12-21 US disclosed
EP-1483268-A2 INDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 US disclosed
WO-2003074529-A2 iNDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2003-09-12 WO 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 (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-20130072482-A1 ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME LCK, SRC, MAP3K1 POLB 3374/4885HTR2C 3838/4885PSEN1 2549/4885
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP POLB 1557/4885HTR2C 2383/4885PSEN1 2640/4885
US-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 POLB 2548/4885HTR2C 4360/4885PSEN1 2077/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 POLB 2548/4885HTR2C 4360/4885PSEN1 2077/4885

“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.