SCHEMBL6481315

SCHEMBL6481315

O=S(=O)(Oc1cc(O)ccn1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ CXCR2 P25025 2/20 0.35
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ CXCR1 P25024 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL31049812 0.80 PDE4A (0.39) PDE4APDE4CPDE4DCA2CA1
SCHEMBL5748165 0.78 CCR1 (0.44) PDE4APDE4CPDE4DCA2CA1
SCHEMBL31090281 0.78 PDE4A (0.45) PDE4APDE4CPDE4DCA2CA1
SCHEMBL22116245 0.76 PDE4A (0.53) PDE4APDE4CPDE4D
SCHEMBL11945522 0.75 CA1 (0.40) PDE4APDE4CPDE4DESR2CXCR2
SCHEMBL538501 0.74 PDE4A (0.44) PDE4APDE4CPDE4DCA2CA1
SCHEMBL24998589 0.73 TRPV1 (0.34) —
SCHEMBL28544908 0.73 ESR2 (0.47) ESR2CA2CA1ALDH1A1ESR1
SCHEMBL23674532 0.72 CA1 (0.39) PDE4APDE4CPDE4DCXCR2CA2
SCHEMBL2462671 0.72 LNPEP (0.41) CA2CA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919470-B2 Aryl and heteroaryl sulfonates BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 — — US disclosed
US-6900209-B2 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. 2005-05-31 — — US disclosed
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2004-03-04 — — US disclosed
US-20030232802-A1 Aryl and heteroaryl sulfonates HEIL MARKUS (DE) 2003-12-18 — — 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 (2 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-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition PSEN1, BDNF, H1-5 PDE4A 1882/4885PDE4C 2688/4885PDE4D 2077/4885
US-20030232802-A1 Aryl and heteroaryl sulfonates ARSA, SNCA, ATXN2 PDE4A 3784/4885PDE4C 3634/4885PDE4D 3839/4885

“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.

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