SCHEMBL2637261

SCHEMBL2637261

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 1/20 0.57
CA12 O43570 2/20 0.54
MMP2 P08253 2/20 0.54
ACP3 P15309 1/20 0.54
CA1 P00915 1/20 0.54
PTPRC P08575 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.52
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
HSP90AA1 P07900 1/20 0.50
CA2 P00918 1/20 0.49

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
SCHEMBL917013 1.00 TSHR (0.61) TSHRLMNAALDH1A1ALOX15CA12
Fluoride SCHEMBL11418765 0.98 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL15158344 0.90 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL8408187 0.86 TSHR (0.64) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL30764114 0.86 TSHR (0.64) TSHRLMNAALDH1A1ALOX15CA12
Phenylphosphonic Acid SCHEMBL28269525 0.84 ALDH1A1 (0.64) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL16146800 0.83 TSHR (0.50) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL3397329 0.82 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL11418761 0.82 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CA12
SCHEMBL18263894 0.82 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CA12

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 4842/4885ALDH1A1 2603/4885
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885LMNA 4131/4885ALDH1A1 1117/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 TSHR 481/4885LMNA 3955/4885ALDH1A1 2705/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR TSHR 266/4885LMNA 2493/4885ALDH1A1 2335/4885

“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.