SCHEMBL1844573

SCHEMBL1844573

Cc1nc([N+](=O)[O-])cn1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.59
PKM P14618 1/20 0.52
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51
POLB P06746 1/20 0.50
PPARG P37231 3/20 0.47
KMT2A Q03164 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
SCHEMBL11957619 0.90 SOS1 (0.58) SOS1PKMPOLBPPARGKMT2A
SCHEMBL11957620 0.84 SOS1 (0.64) SOS1PKMPOLBKMT2A
SCHEMBL11957617 0.81 SOS1 (0.60) SOS1PKMPOLBKMT2A
SCHEMBL1844688 0.81 SOS1 (0.57) SOS1PKMPOLBKMT2A
SCHEMBL1838065 0.80 SOS1 (0.59) SOS1PKMPOLBPPARGKMT2A
SCHEMBL1839643 0.80 TAAR1 (0.48) PKMAGTR1AGTR2
SCHEMBL1840343 0.77 MAPT (0.69) PPARG
SCHEMBL2551563 0.76 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL15497760 0.75 SOS1 (1.00) SOS1PKMPOLBKMT2A
SCHEMBL1841212 0.74 SOS1 (0.50) SOS1PKMPOLBKMT2A

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-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US claimed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US claimed
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP claimed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO claimed

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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 SOS1 3516/4885PKM 2479/4885AGTR1 1702/4885

“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.