SCHEMBL15043886

SCHEMBL15043886

Cc1cnc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
COMT P21964 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
POLB P06746 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 3/20 0.41
P4HTM Q9NXG6 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ASPH Q12797 1/20 0.40

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
SCHEMBL5252542 0.86 TSHR (0.51) TSHRL3MBTL1TDP1COMTCES2
SCHEMBL5252545 0.86 TSHR (0.51) TSHRL3MBTL1TDP1COMTCES2
SCHEMBL18806713 0.82 PDGFRB (0.45) TSHRL3MBTL1POLBMAPTMAPK1
SCHEMBL14333137 0.79 ALDH1A1 (0.47) TSHRTDP1POLBMAPTMEN1
SCHEMBL7083217 0.77 KDM4E (0.50) TSHRL3MBTL1TDP1HCAR2MAPT
SCHEMBL31481315 0.77 GPR35 (0.47) TSHRCES2CES1MAPTSMN1; SMN2
SCHEMBL1338068 0.76 LMNA (0.47) TSHRL3MBTL1TDP1COMTPOLB
SCHEMBL3360541 0.76 ALDH1A1 (0.46) TSHRTDP1MAPTLMNARAB9A
SCHEMBL14333101 0.76 ALDH1A1 (0.50) TSHRTDP1MAPTLMNASMN1; SMN2
SCHEMBL28635523 0.75 KDM4E (0.48) TSHRL3MBTL1TDP1HCAR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TSHR 2647/4885L3MBTL1 4729/4885TDP1 2636/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TSHR 2647/4885L3MBTL1 4729/4885TDP1 2636/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TSHR 2647/4885L3MBTL1 4729/4885TDP1 2636/4885

“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.