SCHEMBL2997409

SCHEMBL2997409

Cc1cccc(O)c1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.52
NLRP3 Q96P20 3/20 0.44
ATR Q13535 1/20 0.42
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
CXCR2 P25025 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL26512493 0.90 ATR (0.46) LCKATRCA12CA1CA9
SCHEMBL24574915 0.90 LCK (0.60) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL5349934 0.83 LCK (0.51) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL19822728 0.83 LMNA (0.42) LCKNLRP3ATRCA12CA1
SCHEMBL31167626 0.83 LCK (0.51) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL1172821 0.83 ATR (0.41) LCKATRCA12CA1CA9
SCHEMBL2352982 0.83 LCK (0.51) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL3577461 0.83 LCK (0.51) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL4637005 0.81 PTPN11 (0.49) LCKATRTSHRHSD17B10CA12
SCHEMBL12884719 0.81 POLB (0.53) LCKNLRP3ATRTRPA1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed
EP-0772592-B1 1H-INDOLE-1-FUNCTIONAL sPLA 2 INHIBITORS LILLY CO ELI (US) 2003-05-02 EP disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
EP-0772592-A4 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS LILLY CO ELI (US) 1998-07-08 EP disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US disclosed
EP-0772592-A1 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003376-A1 1H-INDOLE-1-FUNCTIONAL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 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 (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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR LCK 4119/4885NLRP3 1503/4885ATR 3971/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR LCK 4119/4885NLRP3 1503/4885ATR 3971/4885
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH LCK 3650/4885NLRP3 4759/4885ATR 2732/4885

“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.