SCHEMBL4150684

SCHEMBL4150684

CCOC(=O)c1cc(I)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.52
MAP2K1 Q02750 1/20 0.52
TSHR P16473 3/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
JMJD6 Q6NYC1 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL539982 0.87 MAP2K1 (0.55) MAP2K2MAP2K1TSHRCA12CA1
SCHEMBL4626816 0.84 TSHR (0.60) MAP2K2MAP2K1TSHRCA12CA1
SCHEMBL26586757 0.83 MAP2K1 (0.38) MAP2K2MAP2K1JMJD6
SCHEMBL5739621 0.83 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL4149582 0.83 TSHR (0.53) MAP2K2MAP2K1TSHRCA12CA1
SCHEMBL1997075 0.83 TSHR (0.60) TSHRCA12CA1CA2CA7
SCHEMBL3718401 0.81 MAP2K1 (0.43) MAP2K2MAP2K1TSHRNPSR1MAPK1
SCHEMBL11768705 0.81 CA12 (0.57) TSHRCA12CA1CA2CA7
SCHEMBL19971601 0.81 MAPK1 (0.52) TSHRCA12CA1CA2CA7
SCHEMBL3895902 0.81 CA12 (0.70) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882749-B1 4-METHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALENES BOEHRINGER INGELHEIM INT (DE) 2018-04-04 EP disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 US disclosed
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140045857-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140045857-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B MAP2K2 4879/4885MAP2K1 4880/4885TSHR 479/4885
US-20140045857-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes PDE12, PDE2A, PDE3A MAP2K2 2622/4885MAP2K1 3522/4885TSHR 4590/4885
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes PDE12, PDE2A, PDE3A MAP2K2 2622/4885MAP2K1 3522/4885TSHR 4590/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 MAP2K2 3472/4885MAP2K1 4205/4885TSHR 4522/4885

“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.