SCHEMBL1445463

SCHEMBL1445463

CCC(O)(c1cnc(S)s1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 9/20 0.36
AR P10275 3/20 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
SCHEMBL2985415 1.00 MLYCD (0.36) MLYCDAR
SCHEMBL2991724 1.00 MLYCD (0.36) MLYCDAR
Thiophene SCHEMBL2988236 0.91 MLYCD (0.32) MLYCD
SCHEMBL14037127 0.81 MLYCD (0.37) MLYCDAR
SCHEMBL2981822 0.80 MLYCD (0.34) MLYCD
SCHEMBL2983613 0.80 MLYCD (0.34) MLYCD
SCHEMBL1599140 0.79 SMN1; SMN2 (0.37) MLYCD
SCHEMBL2988611 0.79 PSEN1 (0.35) MLYCD
SCHEMBL2991970 0.78 MLYCD (0.34) MLYCD
SCHEMBL2979547 0.78 MLYCD (0.34) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130226549-A1 STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY TSENG, YUFENG J. (TW) 2013-08-29 US disclosed
US-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-03 US disclosed
US-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-03 US disclosed
US-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-03 US disclosed
EP-2480547-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE Panmira Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
WO-2011038086-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
WO-2011038086-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 US disclosed
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
EP-1978966-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE Amira Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors GAREAU YVES 2006-06-01 US disclosed
EP-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 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 (5 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-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B MLYCD 785/4885AR 3852/4885
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B MLYCD 470/4885AR 4632/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B MLYCD 470/4885AR 4632/4885
US-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors LTC4S, LTA4H, CYSLTR1 MLYCD 2142/4885AR 3933/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885AR 3819/4885

“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.