SCHEMBL1609359

SCHEMBL1609359

COc1cc2cc(C(=O)O)sc2c([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
COMT P21964 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ERN1 O75460 2/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL1609375 0.82 GPR35 (0.46) COMTCA1CA2CDK2
SCHEMBL1608201 0.80 GAA (0.52) ERN1KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL20022246 0.70 STING1 (0.49) STING1TTR
SCHEMBL1609031 0.69 USP10 (0.38) COMTKDM4EPOLBTDP1ALDH1A1
SCHEMBL1608920 0.69 COMT (0.49) COMTKDM4ETDP1L3MBTL1MAPT
SCHEMBL1608229 0.69 TRPV1 (0.47) PKMALDH1A1MEN1KMT2AMCL1
SCHEMBL3364327 0.69 COMT (0.47) COMTCDK2
SCHEMBL1608929 0.68 CDK2 (0.44) PKMCOMTCA12CA1CA2
SCHEMBL6488722 0.68 GPR35 (0.68) PKMCA12CA1CA2CA3
SCHEMBL1850788 0.68 CA2 (0.53) CA12CA1CA2CA3CA4

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-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 PKM 672/4885COMT 1/4885CA12 3647/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 PKM 836/4885COMT 1/4885CA12 3771/4885

“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.