SCHEMBL394784

SCHEMBL394784

Cc1cc(S(C)(=O)=O)c(F)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 4/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CCR2 P41597 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR27 Q9NS67 1/20 0.35
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
SLC9A1 P19634 1/20 0.34
PTGS2 P35354 3/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL1369719 0.92 L3MBTL1 (0.41) L3MBTL1POLBTSHRLMNANPC1
SCHEMBL2773813 0.84 KDM4E (0.41) L3MBTL1POLBTSHRLMNANPC1
SCHEMBL17158071 0.83 PKM (0.38) L3MBTL1CCR2PTGS2CA1CA2
SCHEMBL24651345 0.83 L3MBTL1 (0.42) L3MBTL1TSHRLMNACCR2SLC9A1
SCHEMBL19613829 0.82 POLB (0.37) L3MBTL1POLBTSHRLMNANPC1
SCHEMBL25257871 0.81 L3MBTL1 (0.45) L3MBTL1POLBTSHRLMNANPC1
SCHEMBL21633472 0.79 CCR2 (0.37) L3MBTL1CCR2PTGS2CA1CA2
SCHEMBL22637253 0.78 CA1 (0.39) L3MBTL1CCR2CA1CA2CA9
SCHEMBL17071846 0.78 CCR2 (0.41) CCR2PTGS2CA1CA2CA9
SCHEMBL4532586 0.78 L3MBTL1 (0.38) L3MBTL1CCR2SLC9A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033342-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2016-06-22 EP disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 WO disclosed
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed
EP-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 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 (2 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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 L3MBTL1 4431/4885POLB 2547/4885TSHR 2088/4885
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A L3MBTL1 4626/4885POLB 1083/4885TSHR 4493/4885

“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.