SCHEMBL10192149

SCHEMBL10192149

CCCS(=O)(=O)N1CCc2cc(C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 1/20 0.46
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 5/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10192150 0.89 CYP11B1 (0.56) CYP11B1CYP11B2NOTUMALDH1A1MAPT
SCHEMBL10192176 0.88 RIPK2 (0.46) CYP11B1CYP11B2NOTUMALDH1A1JAK2
SCHEMBL2882290 0.84 MAPT (0.53) CYP11B1CYP11B2ALDH1A1JAK2TYK2
SCHEMBL5024162 0.80 POLB (0.58) CYP11B1CYP11B2NOTUMGAASMN1; SMN2
SCHEMBL10192217 0.77 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL2882066 0.76 HTR6 (0.47) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL15448559 0.76 NOTUM (0.49) NOTUMALDH1A1MAPTTP53GLA
SCHEMBL20523685 0.75 RIPK2 (0.45) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL14068908 0.75 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1JAK2TYK2
SCHEMBL2880426 0.73 PGR (0.52) CYP11B1CYP11B2

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CYP11B1 1044/4885CYP11B2 1209/4885NOTUM 478/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CYP11B1 1506/4885CYP11B2 1863/4885NOTUM 3153/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CYP11B1 1506/4885CYP11B2 1863/4885NOTUM 3153/4885

“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.