SCHEMBL2186238

SCHEMBL2186238

CCNC(=O)c1sccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
MAPK1 P28482 1/20 0.61
ABCC1 P33527 2/20 0.47
PKM P14618 2/20 0.47
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
NPC1 O15118 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPRB P23467 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL20436917 0.86 DHODH (0.51) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL13858907 0.84 HPGD (0.55) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL2012299 0.82 NAAA (0.54) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL20434453 0.82 NAAA (0.54) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL20434471 0.82 NAAA (0.54) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL11820954 0.80 ALDH1A1 (0.62) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL4911370 0.80 KDM4E (0.67) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL13753345 0.79 PKM (0.47) HPGDGAAKDM4EALDH1A1GLA
SCHEMBL3370667 0.79 PKM (0.60) HPGDGAAALDH1A1PKMPPARG
SCHEMBL13964532 0.79 PKM (0.45) HPGDGAAALDH1A1MAPK1ABCC1

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
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP claimed
US-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME UBE INDUSTRIES, LTD. (JP) 2018-08-02 US disclosed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 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 (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-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME IKZF3, HELZ, TEC HPGD 1765/4885GAA 3167/4885KDM4E 723/4885

“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.