SCHEMBL499460

SCHEMBL499460

O=C(O)C(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.52
CYP2C19 P33261 1/20 0.52
ACP3 P15309 4/20 0.47
CYP2D6 P10635 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL5051312 0.85 CYP2C19 (0.49) SRCCYP2C19CYP2D6POLBLMNA
SCHEMBL15312645 0.85 SRC (0.48) SRCCYP2C19ACP3EPHX1
SCHEMBL5059756 0.83 CFTR (0.52) SRCCYP2C19CYP2D6POLB
SCHEMBL5053462 0.83 GRM8 (0.47) CYP2C19CYP2D6LMNAMAPK1
SCHEMBL8057410 0.82 CYP2D6 (0.54) SRCCYP2C19CYP2D6POLBLMNA
SCHEMBL5053343 0.82 CYP2C19 (0.46) SRCCYP2C19ACP3CYP2D6POLB
SCHEMBL5053308 0.80 CYP2C19 (0.45) SRCCYP2C19ACP3CYP2D6POLB
SCHEMBL5054247 0.80 ACP3 (0.45) CYP2C19ACP3CYP2D6EPHX1
SCHEMBL5057992 0.79 CYP2C19 (0.44) SRCCYP2C19ACP3POLBLMNA
SCHEMBL875769 0.79 SRC (0.60) SRCACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
JP-2002514185-A 2002-05-14 JP claimed
US-6054444-A INHIBIT N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-25 US claimed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-6288046-B1 ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE/N-/ INHIBITORS; CARBOXYALKYLPHOSPHATES; PROSTATE DISORDERS; GLUTAMATE ABNORMALITIES; NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-09-11 US disclosed
US-6054444-A INHIBIT N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-25 US disclosed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 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 (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-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SRC 3593/4885CYP2C19 297/4885ACP3 3895/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SRC 1407/4885CYP2C19 301/4885ACP3 1922/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SRC 3593/4885CYP2C19 297/4885ACP3 3895/4885

“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.