SCHEMBL2336631

SCHEMBL2336631

Cc1[nH]c2sccc2c1C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PKM P14618 5/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP15 Q460N3 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
P2RX7 Q99572 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
RORB Q92753 3/20 0.36
RORC P51449 1/20 0.36
HTT P42858 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12443300 0.81 CNR2 (0.45) TSHRALDH1A1L3MBTL1TNKSPARP1
SCHEMBL15143986 0.80 TSHR (0.40) TSHRPKMALDH1A1L3MBTL1CYP2C9
SCHEMBL5672240 0.74 TSHR (0.40) TSHRPKMALDH1A1L3MBTL1CYP2C9
SCHEMBL5675082 0.73 ALDH1A1 (0.42) TSHRPKMALDH1A1L3MBTL1CYP2C9
SCHEMBL15143983 0.73 PARP15 (0.43) ALDH1A1TNKSPARP1PARP15TNKS2
SCHEMBL15143985 0.72 TSHR (0.38) TSHRPKMALDH1A1L3MBTL1CYP2C9
SCHEMBL5675093 0.72 TSHR (0.41) TSHRPKMALDH1A1L3MBTL1CYP2C9
SCHEMBL10717481 0.72 TSHR (0.56) TSHRPKMALDH1A1CYP2C9P2RX7
SCHEMBL15143958 0.71 CNR2 (0.46) TSHRPKMALDH1A1CYP2C9P2RX7
SCHEMBL15143977 0.69 CNR2 (0.54) TSHRALDH1A1CYP1A2CYP2C19MAPT

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-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
WO-2011100324-A1 CANNABINOID RECEPTOR AGONISTS Ironwood Pharmaceuticals Inc. (US) 2011-08-18 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 (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-20130196960-A1 Cannabinoid Receptor Agonists CNR2, CNR1, GPR18 TSHR 460/4885PKM 3699/4885ALDH1A1 2610/4885

“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.