SCHEMBL2011060

SCHEMBL2011060

Cc1cc(C(=O)O)cc(S)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.45
TTR P02766 2/20 0.42
HCAR1 Q9BXC0 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MYC P01106 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PTPN7 P35236 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
SCHEMBL850504 0.85 TPMT (0.54) TPMTTTRHCAR1CA12CA1
SCHEMBL2011335 0.79 NOTUM (0.50) CA12CA1CA2CA7CA9
SCHEMBL23699536 0.79 TPMT (0.48) TPMTTTRHCAR1CA12CA1
SCHEMBL25981011 0.78 CA12 (0.52) TPMTTTRHCAR1CA12CA1
SCHEMBL27300557 0.78 TPMT (0.46) TPMTTTRHCAR1CA12CA1
SCHEMBL15197099 0.77 CA12 (0.58) TPMTTTRCA12CA1CA2
SCHEMBL31395250 0.76 TPMT (0.54) TPMTTTRHCAR1CA12CA1
SCHEMBL31700656 0.76 TPMT (0.45) TPMTTTRHCAR1CA12CA1
SCHEMBL23699555 0.76 TTR (0.52) TPMTTTRHCAR1CA12CA1
SCHEMBL31701026 0.76 TTR (0.52) TPMTTTRHCAR1HSD17B10MYC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163730-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-04-24 US disclosed
US-7964631-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-α PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-23 US disclosed
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-02 US disclosed
US-7834052-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO 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-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 TPMT 1222/4885TTR 2513/4885HCAR1 94/4885
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha CD40, TNFRSF1A, OXER1 TPMT 1241/4885TTR 2928/4885HCAR1 97/4885
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 TPMT 1241/4885TTR 2928/4885HCAR1 97/4885

“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.