SCHEMBL641860

SCHEMBL641860

CC(=O)N1CCC(Nc2ccccc2S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.51
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.43
SFRP1 Q8N474 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
STS P08842 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9965412 0.79 MLNR (0.47) NSD2KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL10174382 0.79 MAPK3 (0.48) NSD2KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL9965449 0.78 KDM4E (0.51) NSD2KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL642152 0.76 KDM4E (0.42) NSD2KMT2AKDM4EMEN1MAPT
SCHEMBL643978 0.76 MAPT (0.48) NSD2KMT2AKDM4EMAPTPKM
SCHEMBL641004 0.76 LMNA (0.65) NSD2KMT2AKDM4EMEN1MAPT
SCHEMBL30352893 0.73 EPHX2 (0.55) NSD2KMT2AMEN1MAPTALDH1A1
SCHEMBL10173975 0.73 MAPT (0.45) NSD2KMT2AKDM4EMAPTPKM
SCHEMBL5149687 0.73 MAPT (0.45) NSD2KMT2AKDM4EMAPTPKM
SCHEMBL9965472 0.72 NSD2 (0.49) NSD2KMT2AMAPTMAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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 (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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 NSD2 1019/4885KMT2A 1997/4885KDM4E 2751/4885

“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.