SCHEMBL1590187

SCHEMBL1590187

CCOC(=O)C(Cc1ccccc1)(C(=O)O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AR P10275 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ELANE P08246 1/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1590184 1.00 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL1590182 0.96 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL7444744 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMAPK1RECQLMMP8
SCHEMBL2429859 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL2429856 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL16207547 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL17391075 0.78 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL17726532 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL30940167 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL2429855 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US 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-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER2 ALDH1A1 449/4885MAPT 4512/4885KMT2A 3572/4885
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 ALDH1A1 1159/4885MAPT 2283/4885KMT2A 2553/4885

“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.