SCHEMBL1027488

SCHEMBL1027488

Cc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
VCAM1 P19320 1/20 0.46
ALPL P05186 1/20 0.45

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
SCHEMBL7339887 0.94 TSHR (0.73) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL1026971 0.88 TSHR (0.62) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL11247732 0.88 CASP6 (0.57) TSHRMAPTKMT2ARAB9ANPC1
SCHEMBL7717398 0.86 TSHR (0.50) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL7336807 0.86 TSHR (0.50) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL25484994 0.85 GPR35 (0.47) TSHRMAPTLMNAALDH1A1VCAM1
SCHEMBL557153 0.85 VCAM1 (0.46) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL357203 0.84 ATM (0.47) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL15292815 0.84 VCAM1 (0.45) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL29966142 0.84 ATM (0.47) TSHRMAPTMEN1KMT2ARAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
EP-1225895-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-05-04 EP disclosed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6762201-B1 SUCH AS N-((2-AMINO-5-(N-METHYL-N-((1-METHYLINDOL-2-YL) -METHYL)CARBAMOYL)PHENYL)METHYL)-N-METHYLACETAMIDE; BACTERIAL INFECTIONS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-13 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 TSHR 4241/4885MAPT 230/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TSHR 2667/4885MAPT 1767/4885MEN1 514/4885

“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.