SCHEMBL5025944

SCHEMBL5025944

C=CCN(C)CCCCCCO[C@H]1CC[C@H](N(C)S(=O)(=O)NCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4805181 0.85 LSS (0.55) LSSKMT2AMEN1
SCHEMBL4804021 0.85 LSS (0.46) LSS
SCHEMBL4798905 0.85 LSS (0.46) LSS
SCHEMBL4808855 0.85 LSS (0.46) LSS
SCHEMBL4803138 0.84 LSS (0.44) LSSUSP2
SCHEMBL4799137 0.81 LSS (0.42) LSSKMT2AUSP2
SCHEMBL4804527 0.80 LSS (0.43) LSSALDH1A1TSHRPOLBL3MBTL1
SCHEMBL4806701 0.80 LSS (0.43) LSSALDH1A1TSHRPOLBL3MBTL1
SCHEMBL3365618 0.79 ALDH1A1 (0.44) LSSKMT2AALDH1A1TSHRMEN1
SCHEMBL4809529 0.78 LSS (0.45) LSS

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-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885KMT2A 3998/4885ALDH1A1 2260/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885KMT2A 3998/4885ALDH1A1 2260/4885

“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.