Sugi Predict

Sugi Predict / Compounds / SCHEMBL836890

SCHEMBL836890

SCHEMBL836890

O=C(O)CCCCS(=O)(=NC(=O)c1cncc(Br)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.48
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CASP3 P42574 3/20 0.40
▸ TBXAS1 P24557 3/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TBXA2R P21731 2/20 0.37

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
SCHEMBL3467688 0.89 EGFR (0.47) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL3467689 0.89 EGFR (0.47) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL834084 0.85 EGFR (0.53) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL12828435 0.83 EGFR (0.43) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL833249 0.80 EGFR (0.42) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL12751016 0.80 EGFR (0.42) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL12750894 0.77 EGFR (0.47) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL835820 0.76 EGFR (0.56) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL835830 0.76 EGFR (0.56) EGFRHTTALOX15SMN1; SMN2POLB
SCHEMBL832135 0.76 EGFR (0.56) EGFRHTTALOX15SMN1; SMN2POLB

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 10 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
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 — — EP 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
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 — — 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 (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 EGFR 81/4885HTT 4564/4885ALOX15 3841/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885HTT 4564/4885ALOX15 3841/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 EGFR 81/4885HTT 4564/4885ALOX15 3841/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 EGFR 155/4885HTT 4309/4885ALOX15 1666/4885

“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.