SCHEMBL960248

SCHEMBL960248

CCCCCC(Br)[C](Br)Br

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.58
PPARD Q03181 1/20 0.58
ZDHHC20 Q5W0Z9 1/20 0.58
ZDHHC2 Q9UIJ5 1/20 0.58
ZDHHC7 Q9NXF8 2/20 0.52
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.40
FDPS P14324 4/20 0.39
GPR84 Q9NQS5 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
LAP3 P28838 1/20 0.37

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
SCHEMBL9015690 0.97 LCK (0.61) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL4303823 0.92
SCHEMBL962287 0.80
SCHEMBL28246883 0.80 LCK (0.65) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL3548195 0.80 LCK (0.54) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11435214 0.78 LCK (0.52) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL16969703 0.78 LCK (0.57) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL16969549 0.78 LCK (0.57) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL16969706 0.78 LCK (0.57) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11435217 0.78 LCK (0.52) LCKPPARDZDHHC20ZDHHC2ZDHHC7

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-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 US disclosed
EP-2968345-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
US-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-07 US disclosed
WO-2014164942-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 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 (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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 LCK 4192/4885PPARD 1372/4885ZDHHC20 4009/4885
US-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME MAP2K2, MAP2K1, MAP2K7 LCK 107/4885PPARD 3718/4885ZDHHC20 2679/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 LCK 1861/4885PPARD 4048/4885ZDHHC20 2283/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 LCK 1861/4885PPARD 4048/4885ZDHHC20 2283/4885

“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.