SCHEMBL10192176

SCHEMBL10192176

CCCS(=O)(=O)N1CCc2ccc(C)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.46
NOD2 Q9HC29 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
DRD3 P35462 5/20 0.41
HTR6 P50406 5/20 0.41
DRD2 P14416 4/20 0.41
NLRP3 Q96P20 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
NOTUM Q6P988 1/20 0.37

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
SCHEMBL10192217 0.89 CYP11B1 (0.47) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL10192149 0.88 CYP11B1 (0.47) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL20523685 0.84 RIPK2 (0.45) RIPK2NOD2LMNAALDH1A1MEN1
SCHEMBL10192216 0.80 NPC1 (0.48) ALDH1A1MEN1KMT2APOLBNLRP3
SCHEMBL12333491 0.78 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL10192150 0.77 CYP11B1 (0.56) ALDH1A1MAPTPOLBCYP11B1CYP11B2
SCHEMBL20523684 0.76 RIPK2 (0.40) RIPK2NOD2ALDH1A1MEN1KMT2A
SCHEMBL10178084 0.76 HTR6 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17571914 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ADRD3HTR6
SCHEMBL2882290 0.75 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTTSHR

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 RIPK2 4429/4885NOD2 2377/4885SMN1; SMN2 4525/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS RIPK2 935/4885NOD2 362/4885SMN1; SMN2 3609/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS RIPK2 935/4885NOD2 362/4885SMN1; SMN2 3609/4885

“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.