SCHEMBL3245037

SCHEMBL3245037

O=S(=O)(CCCCl)c1ccc2c(c1)CCN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PIK3CD O00329 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
SCHEMBL2873054 0.84 CA12 (0.47) CA12CA1CA2CA9HDAC3
SCHEMBL19778192 0.80 CA12 (0.54) CA12CA1CA2CA9HDAC3
SCHEMBL1158722 0.77 CA12 (0.57) CA12CA1CA2CA9HDAC3
SCHEMBL14058989 0.76 SMN1; SMN2 (0.56) CA12CA1CA2CA9HDAC3
SCHEMBL9336975 0.75 CA12 (0.49) CA12CA1CA2CA9HDAC3
SCHEMBL3240492 0.75 CA12 (0.49) CA12CA1CA2CA9HDAC3
SCHEMBL31646567 0.75 CA12 (0.49) CA12CA1CA2CA9HDAC3
Hydrochloric Acid SCHEMBL3240217 0.74 CA12 (0.48) CA12CA1CA2CA9HDAC3
SCHEMBL3238863 0.73 CA1 (0.81) CA12CA1CA2CA9HDAC3
SCHEMBL514685 0.73 PNMT (0.58) CA12CA1CA2CA9HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210886-B1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-09-23 EP disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 US disclosed
US-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-18 US disclosed
EP-2210886-A1 PYRIMIDYL INDOLINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-07-28 EP 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-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND GPR119, SLC5A2, SLC5A1 CA12 4354/4885CA1 4416/4885CA2 1238/4885

“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.