Sugi Predict

Sugi Predict / Compounds / SCHEMBL833510

SCHEMBL833510

SCHEMBL833510

COc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(F)cc3F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.42
▸ PDGFRB P09619 6/20 0.41
▸ HAO1 Q9UJM8 2/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL834762 0.90 KDR (0.44) KDRPDGFRBHAO1SLC16A3NPC1
SCHEMBL834731 0.89 KDR (0.43) KDRPDGFRBHAO1POLBCYP3A4
SCHEMBL833297 0.89 KDR (0.44) KDRPDGFRB
SCHEMBL834199 0.89 KDR (0.49) KDRPDGFRBHAO1SLC16A3
SCHEMBL836509 0.88 KDR (0.43) KDRPDGFRBHAO1POLBSLC16A3
SCHEMBL835260 0.87 KDR (0.49) KDRPDGFRBPOLB
SCHEMBL836298 0.86 KDR (0.45) KDRPDGFRBSLC16A3
SCHEMBL835584 0.86 KDR (0.43) KDRPDGFRBHAO1SLC16A3
SCHEMBL833479 0.86 KDR (0.44) KDRPDGFRBSLC16A3
SCHEMBL834015 0.86 KDR (0.47) KDRPDGFRBSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 — — EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 — — US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 — — US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 — — US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 — — US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 — — US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 — — US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 — — 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 (4 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HAO1 2566/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HAO1 2566/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HAO1 2566/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885HAO1 836/4885

“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.