SCHEMBL2637263

SCHEMBL2637263

O=[N+](O)c1cccc(P(=O)([O-])O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.37
MMP2 P08253 2/20 0.37
ACP3 P15309 1/20 0.37
CA1 P00915 1/20 0.37
PTPRC P08575 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CA2 P00918 2/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3397334 0.85 TSHR (0.38) TSHRLMNACA12MMP2ACP3
SCHEMBL356641 0.76 CA2 (0.37) TSHRLMNACA12MMP2CA1
SCHEMBL17347353 0.75 TSHR (0.55) TSHRLMNAMMP2CA1ALDH1A1
SCHEMBL2637760 0.74 GRM8 (0.44) TSHRLMNACA12MMP2ACP3
SCHEMBL5487192 0.74 SRC (0.39) TSHRLMNACA12MMP2ACP3
SCHEMBL917013 0.73 TSHR (0.61) TSHRLMNACA12MMP2ACP3
SCHEMBL2637261 0.73 TSHR (0.61) TSHRLMNACA12MMP2ACP3
Fluoride SCHEMBL11418765 0.72 TSHR (0.59) TSHRLMNACA12MMP2ACP3
SCHEMBL15158344 0.72 TSHR (0.59) TSHRLMNACA12MMP2ACP3
SCHEMBL13815840 0.70 TSHR (0.77) TSHRLMNAMMP2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-9000208-B2 Glutamate derivatives or salts thereof AJINOMOTO CO., INC. (JP) 2015-04-07 US disclosed
US-8877739-B2 Prophylactic agent or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-04-25 US disclosed
EP-2554165-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY Ajinomoto Co., Inc. (JP) 2013-02-06 EP disclosed
EP-2551262-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF Ajinomoto Co., Inc. (JP) 2013-01-30 EP disclosed
US-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF AJINOMOTO CO., INC. (JP) 2013-01-17 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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 (4 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-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF CASR, GIPR, GRPR TSHR 233/4885LMNA 4842/4885CA12 1261/4885
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885LMNA 4131/4885CA12 4611/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 TSHR 481/4885LMNA 3955/4885CA12 1943/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR TSHR 266/4885LMNA 2493/4885CA12 1678/4885

“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.