SCHEMBL13229342

SCHEMBL13229342

O=C(NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1[C@@H]2CCCC[C@H]1CN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.51
CNR1 P21554 4/20 0.45
RHOA P61586 3/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KDM1A O60341 1/20 0.36
EPHX2 P34913 2/20 0.36
AKR1C3 P42330 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RHOC P08134 2/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL8260726 1.00 STS (0.51) STSCNR1RHOAHDAC3HDAC4
SCHEMBL13698765 0.86 STS (0.47) STSCNR1RHOAHDAC3HDAC4
SCHEMBL2921990 0.85 STS (0.70) STSCNR1
SCHEMBL8260230 0.81 STS (0.49) STSCNR1RHOAHCRTR1HCRTR2
SCHEMBL13175781 0.80 STS (0.43) STSCNR1EPHX2AKR1C3L3MBTL1
SCHEMBL5605623 0.76 STS (0.60) STSCNR1RHOARHOC
SCHEMBL13363856 0.71 STS (0.51) STSCNR1ACLYKDR
SCHEMBL2925179 0.70 STS (0.62) STSCNR1RHOAEPHX2RHOC
SCHEMBL2952898 0.67 STS (1.00) STSEPHX2
SCHEMBL3936688 0.65 ACP1 (0.45) STSCNR1HDAC8L3MBTL1

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-20100204146-A1 Treatment of Oestrogen Dependant Conditions in Pre-menopausal Women PREGLEM S.A. (CH) 2010-08-12 US disclosed
US-20100204146-A1 Treatment of Oestrogen Dependant Conditions in Pre-menopausal Women PREGLEM S.A. (CH) 2010-08-12 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-20100204146-A1 Treatment of Oestrogen Dependant Conditions in Pre-menopausal Women STS, CYP19A1, SHBG STS 1/4885CNR1 2761/4885RHOA 4241/4885

“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.