SCHEMBL7870358

SCHEMBL7870358

O=S(=O)(NCCc1ccc(NCc2cccc3nccn23)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
TP53 P04637 1/20 0.34
NPY5R Q15761 1/20 0.32
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
F2 P00734 1/20 0.30
PTK2 Q05397 1/20 0.30
NAMPT P43490 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
SCHEMBL7863546 0.80 NPY5R (0.39) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL7863412 0.80 NPY5R (0.36) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL7872382 0.79 NPY5R (0.40) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL7872439 0.75 CA1 (0.35) CA2CA1F2
SCHEMBL9001878 0.71 IDO1 (0.39) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL9001957 0.70 IDO1 (0.43) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL9002538 0.70 CDK8 (0.33) CA2CA1NPY5RMAPTKMT2A
SCHEMBL9002425 0.70 IDO1 (0.40) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL9002354 0.69 NPY5R (0.41) CA2CA1NPY5RKMT2AEGLN1
SCHEMBL9002275 0.69 NPY5R (0.36) CA2CA1NPY5RKMT2AEGLN1

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-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN CA2 3423/4885CA1 4584/4885TP53 4644/4885

“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.