Sugi Predict

Sugi Predict / Compounds / SCHEMBL833940

SCHEMBL833940

SCHEMBL833940

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.45
▸ PDGFRB P09619 4/20 0.43
▸ SLC16A3 O15427 1/20 0.40
▸ ELOVL6 Q9H5J4 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ UBA2 Q9UBT2 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL834363 0.91 KDR (0.42) KDRPDGFRB
SCHEMBL834588 0.91 KDR (0.46) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL836872 0.90 KDR (0.47) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL1477070 0.89 KDR (0.48) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834756 0.89 KDR (0.54) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL835768 0.88 KDR (0.52) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834970 0.88 KDR (0.47) KDRPDGFRBSLC16A3MAPT
SCHEMBL836723 0.88 KDR (0.54) KDRPDGFRB
SCHEMBL835580 0.88 KDR (0.45) KDRPDGFRBSLC16A3CA12CA1
SCHEMBL834443 0.88 KDR (0.45) KDRPDGFRBSLC16A3CA12CA1

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 368/4885SLC16A3 4324/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SLC16A3 4324/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SLC16A3 4324/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885SLC16A3 4434/4885

“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.