SCHEMBL5111436

SCHEMBL5111436

Cc1nc2c(n1-c1ccc(C(=O)O)cc1C(F)(F)F)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.39
PPARG P37231 3/20 0.39
TTR P02766 2/20 0.39
MYC P01106 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 2/20 0.37
RXRA P19793 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN7 P35236 1/20 0.36

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
SCHEMBL5100509 0.98 TTR (0.41) RORCPPARGTTRMYCKDM4E
SCHEMBL5097048 0.82 MYC (0.43) RORCPPARGMYCKDM4EMEN1
SCHEMBL5103961 0.77 RORC (0.39) RORCPPARGTTRP2RX7HPGD
SCHEMBL3529026 0.71 TTR (0.41) RORCTTRMYCHSD17B10ESR1
SCHEMBL3526351 0.69 TTR (0.59) TTRKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL3528958 0.69 KDM4E (0.51) RORCTTRMYCKDM4EHSD17B10
SCHEMBL2776207 0.68 KDM4E (0.61) TTRKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL3643489 0.68 KDM4E (0.61) TTRKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL2870314 0.68 KDM4E (0.53) TTRMYCKDM4EPOLBHSD17B10
SCHEMBL5109966 0.68 UGCG (0.42) RORCTTRKDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (1 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 RORC 1586/4885PPARG 1117/4885TTR 222/4885

“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.