SCHEMBL3049183

SCHEMBL3049183

CS(=O)(=O)O[C@H]1CCCc2c1c1c([nH]c2=O)-c2cccc(CN3CCC(F)C3)c2C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
KDR P35968 2/20 0.32
KIT P10721 1/20 0.31
FLT1 P17948 1/20 0.31
BRD4 O60885 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL3054605 1.00 DHODH (0.33) DHODHKDRKITFLT1BRD4
SCHEMBL3060578 0.91 KDR (0.35) KDRKITFLT1BRD4
SCHEMBL3062086 0.91 ACHE (0.36) KDRKITFLT1BRD4
SCHEMBL3049565 0.88 SPR (0.32) KDRKITFLT1
SCHEMBL3049186 0.83 DHODH (0.37) DHODHKDRKITFLT1BRD4
SCHEMBL3049179 0.83 DHODH (0.37) DHODHKDRKITFLT1BRD4
SCHEMBL3054604 0.83 DHODH (0.37) DHODHKDRKITFLT1BRD4
SCHEMBL2778363 0.81 KDR (0.36) DHODHKDRKITFLT1BRD4
SCHEMBL3059023 0.81 KDR (0.36) DHODHKDRKITFLT1BRD4
SCHEMBL2778366 0.81 KDR (0.36) DHODHKDRKITFLT1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 DHODH 544/4885KDR 97/4885KIT 1281/4885

“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.