SCHEMBL867166

SCHEMBL867166

CCC(O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA7 P43166 1/20 0.52
MAPT P10636 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP4A11 Q02928 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
Methylparaben SCHEMBL2170181 0.86 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL11901631 0.86 SLC6A2 (0.51) CA1CA2CA12CA9CA14
SCHEMBL14661699 0.86 SLC6A2 (0.51) CA1CA2CA12CA9CA14
SCHEMBL1765701 0.86 SLC6A2 (0.51) CA1CA2CA12CA9CA14
SCHEMBL31376526 0.85 CA1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL1765662 0.84 NPC1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL14281202 0.84 LOXL2 (0.58) CA1CA2CA12CA9CA14
SCHEMBL2792701 0.84 TDP1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL10777253 0.84 LOXL2 (0.58) CA1CA2CA12CA9CA14
SCHEMBL18910996 0.84 CA1 (0.59) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
CN-102442974-B Camphor derivative compound, and production method and use thereof WANG BINGJUN 2014-07-23 CN disclosed
US-8609839-B2 Camphor-derived compounds, method for manufacturing the same, and application thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-12-17 US disclosed
US-8609892-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2013-12-17 US disclosed
CN-102442974-A Camphor derivative compound, and production method and use thereof BINGJUN WANG 2012-05-09 CN disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-20120077976-A1 CAMPHOR-DERIVED COMPOUNDS, METHOD FOR MANUFACTURING THE SAME, AND APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 US disclosed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
EP-0722440-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0722440-A4 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES LILLY CO ELI (US) 1996-06-04 EP disclosed
US-5426110-A Inhibiting dihydrofolate reductase in mammals and treating susceptible reoplasms ELI LILLY AND COMPANY (US) 1995-06-20 US disclosed
WO-1995009845-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1995-04-13 WO disclosed
EP-0341551-A1 Alkenoic acid derivatives BAYER AG (DE) 1989-11-15 EP 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 (3 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK CA1 3899/4885CA2 3340/4885CA12 4584/4885
US-20120077976-A1 CAMPHOR-DERIVED COMPOUNDS, METHOD FOR MANUFACTURING THE SAME, AND APPLICATION THEREOF PDE10A, PDE6H, PRKAR2A CA1 3123/4885CA2 3251/4885CA12 1778/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CA1 3686/4885CA2 3049/4885CA12 4596/4885

“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.