SCHEMBL6529024

SCHEMBL6529024

O=S(=O)(NCC1CCC(C#CCCCCl)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
CYP19A1 P11511 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HDAC4 P56524 1/20 0.39
MMP1 P03956 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
MGLL Q99685 1/20 0.38
THRB P10828 1/20 0.37
PARG Q86W56 1/20 0.37

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
SCHEMBL5068898 0.89 GBA1 (0.43) GBA1CYP19A1USP30CA1CA2
SCHEMBL5069078 0.81 LSS (0.53) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4802461 0.77 HTR2A (0.53) USP30KMT2AMEN1ALDH1A1
SCHEMBL4802453 0.77 HTR2A (0.53) USP30KMT2AMEN1ALDH1A1
SCHEMBL6455036 0.77 MEN1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL25252825 0.73 HTR2C (0.53) GBA1CYP19A1USP30CA1CA2
SCHEMBL5028418 0.72 KMT2A (0.70) GBA1CYP19A1MMP1KMT2AMEN1
SCHEMBL5028416 0.72 KMT2A (0.70) GBA1CYP19A1MMP1KMT2AMEN1
SCHEMBL7211522 0.72 USP30 (0.44) GBA1CYP19A1USP30CA1CA2
SCHEMBL7204569 0.70 GBA1 (0.46) GBA1CYP19A1USP30CA1CA2

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-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 (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-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 GBA1 403/4885CYP19A1 28/4885USP30 4136/4885

“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.