SCHEMBL5505384

SCHEMBL5505384

O=P(O)(O)C(F)(F)c1ccc(CN(c2ccc(F)cc2)c2ncc(-c3ccc(-c4nn[nH]n4)cc3)o2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.40
PTPN2 P17706 4/20 0.40
TRPM8 Q7Z2W7 1/20 0.36
CXCR3 P49682 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5507775 0.86 PTPN1 (0.38) PTPN1PTPN2CYP2C9CYP2C19
SCHEMBL5499376 0.84 PTPN1 (0.39) PTPN1PTPN2PTGDR2
SCHEMBL5502408 0.84 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL5988073 0.82 PTPN1 (0.40) PTPN1PTPN2LTB4R2
SCHEMBL5499270 0.81 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL5500025 0.78 PTPN1 (0.40) PTPN1PTPN2
SCHEMBL5499142 0.78 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL5499814 0.77 PTPN1 (0.39) PTPN1PTPN2TRPM8
SCHEMBL5988326 0.77 PTPN1 (0.40) PTPN1PTPN2LTB4R2
SCHEMBL5499284 0.76 SSTR5 (0.34) PTPN1PTPN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP disclosed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 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 (1 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-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 PTPN1 3/4885PTPN2 24/4885TRPM8 4558/4885

“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.