SCHEMBL12407134

SCHEMBL12407134

CCCN(c1ccc(C)cc1)S(=O)(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CNR1 P21554 6/20 0.44
▸ CNR2 P34972 6/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40

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
SCHEMBL12407128 0.86 MMP2 (0.51) MMP2MMP9KEAP1NFE2L2CNR1
SCHEMBL10192219 0.86 CNR2 (0.49) MMP2MMP9KEAP1NFE2L2CNR1
SCHEMBL17333403 0.82 ESR1 (0.60) MEN1KMT2AESR1TSHR
SCHEMBL15672829 0.76 KMT2A (0.45) CNR1CNR2MEN1KMT2AESR1
SCHEMBL8224221 0.75 ESR1 (0.75) KEAP1NFE2L2CNR1CNR2MEN1
SCHEMBL10192055 0.75 MAPT (0.59) KEAP1NFE2L2CNR1CNR2MEN1
SCHEMBL15672925 0.74 ESR1 (0.57) MEN1KMT2AESR1TSHRALDH1A1
SCHEMBL12407129 0.73 KEAP1 (0.50) MMP2MMP9KEAP1NFE2L2CNR1
SCHEMBL17333633 0.73 ESR1 (0.55) MEN1KMT2AESR1TSHRALDH1A1
SCHEMBL17333701 0.72 ESR1 (0.54) MEN1KMT2AESR1TSHRALDH1A1

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
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 — — US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 — — US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 — — US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MMP2 825/4885MMP9 1768/4885KEAP1 779/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MMP2 825/4885MMP9 1768/4885KEAP1 779/4885

“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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