SCHEMBL10202089

SCHEMBL10202089

CC(C)(C)CN1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
PKM P14618 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 2/20 0.51
MCOLN3 Q8TDD5 1/20 0.51

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
SCHEMBL685172 0.81 POLB (0.67) POLBPKMALDH1A1LMNAAPOBEC3A
SCHEMBL735657 0.80 POLB (0.80) POLBPKMALDH1A1TDP1LMNA
SCHEMBL3830424 0.80 POLB (0.80) POLBPKMALDH1A1TDP1LMNA
SCHEMBL7122592 0.80 POLB (0.80) POLBPKMALDH1A1TDP1LMNA
SCHEMBL10724375 0.79 POLB (0.67) POLBPKMAPOBEC3AAPOBEC3GTP53
SCHEMBL681675 0.78 POLB (0.66) POLBPKMALDH1A1TDP1LMNA
SCHEMBL13152700 0.77 ALDH1A1 (0.60) POLBPKMALDH1A1KDM4ELMNA
SCHEMBL12726868 0.77 CYP2D6 (0.76) POLBPKMALDH1A1LMNAAPOBEC3A
SCHEMBL7131206 0.77 KDM4E (0.78) POLBALDH1A1KDM4ELMNAGAA
SCHEMBL20466388 0.76 POLB (0.58) POLBPKMALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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 (2 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-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 POLB 1081/4885PKM 658/4885ALDH1A1 1641/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA POLB 3057/4885PKM 345/4885ALDH1A1 3679/4885

“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.