SCHEMBL20239088

SCHEMBL20239088

Cc1ccc(S(=O)(=O)O[C@H]2C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.46
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
HSD11B1 P28845 1/20 0.42
MMP13 P45452 1/20 0.40
BCL2 P10415 2/20 0.40
BCL2L1 Q07817 2/20 0.40
UCHL1 P09936 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL2710062 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL4421755 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL7407670 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL14143865 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL6847660 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL13481726 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL1890321 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL3187965 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL30148070 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL11300131 0.91 MCL1 (0.46) MCL1HSD11B1UCHL1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 US disclosed
US-11891422-B2 NEMO coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2024-02-06 US disclosed
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2021-09-09 US disclosed
US-10851133-B2 Stabilized minimal coiled-coil mimetics NEW YORK UNIVERSITY (US) 2020-12-01 US disclosed
US-20200190155-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2020-06-18 US disclosed
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS NEW YORK UNIVERSITY 2018-06-14 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 (6 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-10851133-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, CRYZ MCL1 3079/4885CYP2D6 4879/4885CYP1A2 4881/4885
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ MCL1 3079/4885CYP2D6 4879/4885CYP1A2 4881/4885
US-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH MCL1 2920/4885CYP2D6 3309/4885CYP1A2 2802/4885
US-20200190155-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH MCL1 2920/4885CYP2D6 3309/4885CYP1A2 2802/4885
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ MCL1 3079/4885CYP2D6 4879/4885CYP1A2 4881/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH MCL1 2745/4885CYP2D6 3195/4885CYP1A2 2591/4885

“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.