SCHEMBL3217954

SCHEMBL3217954

N#Cc1ccccc1S(=O)(=O)N1CCC(Oc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53
HTR2C P28335 3/20 0.47
HTR2A P28223 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ACLY P53396 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TRPV4 Q9HBA0 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FPR2 P25090 2/20 0.42
PROKR1 Q8TCW9 2/20 0.42
CCR1 P32246 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR183 P32249 1/20 0.41
GBA1 P04062 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
SCHEMBL3207441 0.86 FAAH (0.52) HTR2CHTR2AACLYCCR1KCNH2
SCHEMBL3201949 0.81 EPHX2 (0.50) HTR2CHTR2AACLYCCR1KCNH2
SCHEMBL3223105 0.79 KMT2A (0.60) ACLYALDH1A1L3MBTL1
SCHEMBL3198980 0.78 NPC1 (0.61) PKMALDH1A1
SCHEMBL15720452 0.77 ATM (0.62) MAPTPKMATMHTR2CHTR2A
SCHEMBL4518487 0.76 ATM (0.65) MAPTPKMATMHTR2CHTR2A
SCHEMBL3209965 0.75 LMNA (0.58) MAPTPKMATMHTR2CHTR2A
SCHEMBL1014809 0.74 PKM (0.67) PKMATMHTR2CHTR2AKDM4E
SCHEMBL3224285 0.74 HTR6 (0.50) MAPTHTR2CHTR2AACLYFPR2
SCHEMBL3209450 0.74 HTR2C (0.51) MAPTPKMHTR2CHTR2AACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 MAPT 3352/4885PKM 2924/4885ATM 4180/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MAPT 3097/4885PKM 2798/4885ATM 4041/4885

“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.