SCHEMBL10192172

SCHEMBL10192172

Cc1cccc(N2CCNS2(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
ALOX5 P09917 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
HSP90AA1 P07900 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.38
CASP6 P55212 1/20 0.38
BCL2A1 Q16548 1/20 0.38
POLB P06746 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
SCHEMBL10192168 0.80 ADRB1 (0.44) ADRB1ALOX5L3MBTL1MGLLMAPT
SCHEMBL17195399 0.79 PTPN1 (0.50) ADRB1ALOX5MEN1KMT2AGAA
SCHEMBL1688153 0.73 PTPN1 (0.66) ADRB1ALOX5L3MBTL1HSP90AA1MGLL
SCHEMBL10192187 0.72 TP53 (0.64) ADRB1ALOX5L3MBTL1MAPTTP53
SCHEMBL15419754 0.72 ALOX5 (0.44) ALOX5L3MBTL1MGLLMAPTTP53
SCHEMBL10053487 0.71 POLB (0.62) ALOX5L3MBTL1MAPTTP53POLB
SCHEMBL8358601 0.70 ADRB1 (0.42) ADRB1ALOX5L3MBTL1MAPTTP53
SCHEMBL15420000 0.69 PTPN1 (0.47) ADRB1ALOX5MEN1KMT2APOLB
SCHEMBL17233009 0.69 ADRB2 (0.44)
SCHEMBL17232948 0.69 PIK3C3 (0.39)

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 ADRB1 2943/4885ALOX5 575/4885L3MBTL1 2809/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ADRB1 4150/4885ALOX5 2791/4885L3MBTL1 3501/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ADRB1 4150/4885ALOX5 2791/4885L3MBTL1 3501/4885

“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.