SCHEMBL10191602

SCHEMBL10191602

CCn1c(-c2ccc(CS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
PER2 O15055 9/20 0.35
CRY1 Q16526 9/20 0.35
CRY2 Q49AN0 9/20 0.35
ESR1 P03372 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
PFKFB2 O60825 1/20 0.33
NSD2 O96028 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33

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
SCHEMBL10095616 0.83 CHRNA7 (0.43) RORCKDM4EALDH1A1MAPTMAPK1
SCHEMBL10095619 0.82 PTGER4 (0.41) RORCKDM4EALDH1A1HSD17B10MAPT
SCHEMBL10095617 0.82 CYP11B2 (0.44) RORCKDM4EMAPTMAPK1L3MBTL1
SCHEMBL10095620 0.82 PGR (0.44) KDM4EMAPTMAPK1L3MBTL1PER2
SCHEMBL10095618 0.82 KDM4E (0.41) KDM4EALDH1A1HSD17B10MAPTMAPK1
SCHEMBL10095578 0.70 CA12 (0.52) KDM4EALDH1A1HSD17B10MAPTMAPK1
SCHEMBL10097253 0.69 GRIK2 (0.71) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL10095610 0.69 S1PR1 (0.42) RORCKDM4EALDH1A1HSD17B10MAPT
SCHEMBL10097247 0.69 PGR (0.44) ALDH1A1GRIK1GRIK2PFKFB2NSD2
SCHEMBL10095574 0.69 KIF11 (0.45) KDM4EALDH1A1HSD17B10MAPTMAPK1

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 2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS RORC 942/4885KDM4E 3703/4885ALDH1A1 591/4885

“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.