SCHEMBL19367498

SCHEMBL19367498

CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.63
▸ TP53 P04637 4/20 0.63
▸ THRB P10828 1/20 0.61
▸ LMNA P02545 5/20 0.61
▸ TSHR P16473 2/20 0.61
▸ HTT P42858 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ POLB P06746 3/20 0.56
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL15076711 0.90 CYP3A4 (0.67) MAPTTP53LMNATSHRHTT
SCHEMBL16903198 0.90 MAPT (0.59) MAPTTP53THRBLMNATSHR
SCHEMBL16903150 0.87 MAPT (0.67) MAPTTP53LMNATSHRHTT
SCHEMBL18084780 0.87 MAPT (0.61) MAPTTP53LMNATSHRHTT
SCHEMBL18084763 0.87 MAPT (0.61) MAPTTP53LMNATSHRHTT
SCHEMBL16903066 0.87 CYP3A4 (0.54) MAPTTP53THRBLMNATSHR
SCHEMBL28454153 0.87 MAPT (0.58) MAPTTP53LMNATSHRHTT
SCHEMBL28449581 0.87 MAPT (0.58) MAPTTP53LMNATSHRHTT
SCHEMBL16903129 0.87 MAPT (0.63) MAPTTP53LMNATSHRHTT
SCHEMBL15076704 0.87 MAPT (0.55) MAPTTP53THRBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266197-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS B VIRUS INFECTIONS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-09-21 — — 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-20170266197-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS B VIRUS INFECTIONS HAVCR2, HCCS, PYGL MAPT 4168/4885TP53 811/4885THRB 1507/4885

“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.

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