SCHEMBL4117459

SCHEMBL4117459

Cc1cc2c(cc1C)C(OCC(=O)O)N(c1cccc(F)c1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
CTSA P10619 1/20 0.37
HSD11B1 P28845 1/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PRNP P04156 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
P2RX3 P56373 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4115204 0.88 ALDH1A1 (0.45) HPGDKDM4EALDH1A1GAAP2RX3
SCHEMBL4109186 0.84 GAA (0.41) ALDH1A1GAAPOLB
SCHEMBL4118353 0.82 NOTUM (0.38) NOTUMCTSAHSD11B1HPGDKDM4E
SCHEMBL4110694 0.80 NOTUM (0.40) NOTUMHSD11B1HPGDKDM4EALDH1A1
SCHEMBL4127465 0.78 MEN1 (0.42) NOTUMHSD11B1ALDH1A1POLBNPC1
SCHEMBL4117410 0.76 FAAH (0.41) HPGDALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL4117022 0.73 FAAH (0.39) HSD11B1HPGDKDM4EALDH1A1POLB
SCHEMBL3745282 0.71 ATM (0.43) POLBLMNA
SCHEMBL4128092 0.71 ADAMTS5 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL4116895 0.68 RXFP1 (0.39) NOTUMHPGDALDH1A1GAAP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 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 (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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 NOTUM 1379/4885CTSA 4547/4885HSD11B1 1639/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 NOTUM 3062/4885CTSA 4365/4885HSD11B1 2526/4885

“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.