SCHEMBL7621263

SCHEMBL7621263

O=P(O)(Oc1ccc(CC(c2ccccc2)c2noc(-c3ccccc3)n2)cc1Br)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.41
S1PR1 P21453 3/20 0.41
PTPN1 P18031 2/20 0.38
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TPH1 P17752 4/20 0.35
SMPD1 P17405 2/20 0.35
PTPN2 P17706 1/20 0.34
S1PR5 Q9H228 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
PPARD Q03181 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ACP3 P15309 1/20 0.32
PDCD1 Q15116 1/20 0.32

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
SCHEMBL7623935 0.85 PTPN1 (0.55) S1PR3S1PR1PTPN1TPH1S1PR5
SCHEMBL7585734 0.80 PTPN1 (0.56) S1PR3S1PR1PTPN1PTPN2ACP3
SCHEMBL7620392 0.75 PTPN1 (0.41) S1PR3S1PR1PTPN1LMNASMN1; SMN2
SCHEMBL7168584 0.74 PTPN1 (0.47) PTPN1LMNAPTPN2PPARGPPARA
SCHEMBL5401110 0.74 PTPN2 (0.35) PTPN1PTPN2
SCHEMBL7165738 0.73 PTPN1 (0.62) PTPN1LMNASMN1; SMN2PTPN2PPARA
SCHEMBL7195859 0.73 EGFR (0.49) PTPN1SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL7595105 0.72 CASP1 (0.35) S1PR3S1PR1PTPN1LMNATPH1
SCHEMBL7204587 0.72 PTPN1 (0.35) PTPN1PTPN2PPARA
SCHEMBL7594345 0.72 PTPN1 (0.44) S1PR3S1PR1PTPN1SMPD1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US 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-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA S1PR3 4002/4885S1PR1 2885/4885PTPN1 13/4885

“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.