SCHEMBL2849782

SCHEMBL2849782

CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](S(=O)(=O)c3ccncc3)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.48
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
DEGS1 O15121 1/20 0.41
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GCK P35557 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2849781 1.00 ABL1 (0.48) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL2852234 0.92 ABL1 (0.48) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL2852237 0.92 ABL1 (0.48) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL710662 0.89 ABL1 (0.52) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL2851400 0.89 ABL1 (0.52) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL2849284 0.87 ABL1 (0.46) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL2849286 0.87 ABL1 (0.46) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL711474 0.85 ABL1 (0.46) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL2851423 0.85 ABL1 (0.46) ABL1ALDH1A1KMT2AMEN1DEGS1
SCHEMBL711433 0.85 ABL1 (0.46) ABL1ALDH1A1KMT2AMEN1DEGS1

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-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 ABL1 3478/4885ALDH1A1 1423/4885KMT2A 1869/4885

“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.