SCHEMBL4029124

SCHEMBL4029124

CCOC(=O)c1ccc(CN2C(=O)c3ccccc3S2(O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
ELANE P08246 1/20 0.50
CA2 P00918 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
MAPK10 P53779 1/20 0.47
TPSAB1 Q15661 4/20 0.46
TPSD1 Q9BZJ3 4/20 0.46
TPSG1 Q9NRR2 4/20 0.46

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
SCHEMBL4029127 0.88 CA12 (0.67) MEN1KMT2ACA12CA9ELANE
SCHEMBL3937520 0.79 HDAC1 (0.77) CA12CA9HDAC1HDAC2
SCHEMBL20545362 0.78 CA12 (0.78) MAPTCA12CA9ELANECA2
SCHEMBL916911 0.78 KMT2A (0.65) MEN1KMT2AMAPTHDAC1SMN1; SMN2
SCHEMBL9014634 0.76 RAB9A (0.76) MEN1KMT2AMAPTCA12CA9
SCHEMBL4027170 0.72 CA12 (0.57) CA12CA9ELANECA2HDAC1
SCHEMBL16831385 0.71 CA12 (0.59) MEN1KMT2AMAPTCA12CA9
SCHEMBL6386416 0.71 SMN1; SMN2 (0.58) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13606246 0.71 HDAC1 (0.73) KMT2ACA12CA9ELANECA2
SCHEMBL3940608 0.69 CA12 (0.76) KMT2ACA12CA9ELANECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2009-12-17 US disclosed
EP-2045246-A1 DERIVATIVES OF BENZO[D] ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 MEN1 4169/4885KMT2A 81/4885MAPT 1473/4885

“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.