SCHEMBL12107168

SCHEMBL12107168

CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.48
PGR P06401 7/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
NR3C1 P04150 3/20 0.39
NR3C2 P08235 3/20 0.39
AR P10275 3/20 0.39
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
KIF11 P52732 1/20 0.37
PDE1C Q14123 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL10193421 0.91 PGR (0.48) CYP11B2PGRALDH1A1HPGDNR3C1
SCHEMBL10095410 0.89 CYP11B2 (0.46) CYP11B2PGRALDH1A1HPGDTHRB
SCHEMBL10193432 0.89 CYP11B2 (0.41) CYP11B2PGRALDH1A1HPGDTHRB
SCHEMBL10193427 0.88 CYP11B2 (0.38) CYP11B2PGRALDH1A1NR3C1NR3C2
SCHEMBL12996795 0.87 CYP11B2 (0.47) CYP11B2PGRALDH1A1HPGDTHRB
SCHEMBL2884362 0.87 CYP11B2 (0.45) CYP11B2PGRALDH1A1HPGDTHRB
SCHEMBL10095333 0.87 GRIK2 (0.46) CYP11B2PGRALDH1A1HPGDNR3C1
SCHEMBL10096613 0.86 CYP11B2 (0.44) CYP11B2PGRALDH1A1HPGDTHRB
SCHEMBL10095546 0.86 KIF11 (0.52) CYP11B2PGRNR3C1NR3C2AR
SCHEMBL10095590 0.86 CYP11B2 (0.44) CYP11B2PGRALDH1A1HPGDNR3C1

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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS CYP11B2 808/4885PGR 1203/4885ALDH1A1 563/4885

“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.