SCHEMBL621753

SCHEMBL621753

COC(=O)c1cccc(F)c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KMT2A Q03164 5/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CFTR P13569 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL30432593 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL26247276 0.89 KMT2A (0.59) CA12CA1CA2CA7CA9
SCHEMBL852026 0.89 ALB (0.52) CA12CA1CA2CA7CA9
SCHEMBL1586012 0.89 KMT2A (0.47) CA12CA1CA2CA7CA9
SCHEMBL31159165 0.89 KMT2A (0.59) CA12CA1CA2CA7CA9
SCHEMBL1070351 0.88 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13735592 0.87 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL853194 0.87 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13733976 0.87 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL29232789 0.86 KMT2A (0.49) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170255100-A1 DRY FILM STRUCTURE FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2017-09-07 US disclosed
CN-101874019-B Process for preparing isoindole derivatives and process for preparing intermediates thereof HOFFMANN LA ROCHE 2013-06-12 CN disclosed
US-20130060038-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 2013-03-07 US disclosed
US-20130060038-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 2013-03-07 US disclosed
US-20130060038-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 2013-03-07 US disclosed
US-20120041205-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES PFLEGER CHRISTOPHE (FR) 2012-02-16 US disclosed
US-20120041205-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES PFLEGER CHRISTOPHE (FR) 2012-02-16 US disclosed
US-20120041205-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES PFLEGER CHRISTOPHE (FR) 2012-02-16 US disclosed
EP-2225202-B1 Preparation of dihydropyrrol derivatives as intermediates HOFFMANN LA ROCHE (CH) 2011-12-28 EP disclosed
CN-101874019-A Process for preparing isoindole derivatives and process for preparing intermediates thereof HOFFMANN LA ROCHE 2010-10-27 CN disclosed
EP-2225202-A2 PROCESS FOR THE PREPARATION OF ISOINDOLE DERIVATIVES AS WELL AS A PROCESS FOR THE PREPARATION OF THEIR INTERMEDIATES F. Hoffmann-La Roche AG (CH) 2010-09-08 EP disclosed
WO-2009068463-A2 PROCESS FOR THE PREPARATION OF ISOINDOLE DERIVATIVES AS WELL AS A PROCESS FOR THE PREPARATION OF THEIR INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
WO-2009068463-A2 PROCESS FOR THE PREPARATION OF ISOINDOLE DERIVATIVES AS WELL AS A PROCESS FOR THE PREPARATION OF THEIR INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143589-A1 Preparation of dihydropyrrol derivatives as intermediates ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143589-A1 Preparation of dihydropyrrol derivatives as intermediates ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143589-A1 Preparation of dihydropyrrol derivatives as intermediates ROCHE PALO ALTO LLC 2009-06-04 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 (3 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-20090143589-A1 Preparation of dihydropyrrol derivatives as intermediates DHPS, QDPR, SDHA CA12 2775/4885CA1 3372/4885CA2 1939/4885
US-20120041205-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES DHPS, QDPR, SDHA CA12 2775/4885CA1 3372/4885CA2 1939/4885
US-20130060038-A1 PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES DHPS, QDPR, SDHA CA12 2775/4885CA1 3372/4885CA2 1939/4885

“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.