SCHEMBL2619783

SCHEMBL2619783

CC(c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
SHH Q15465 1/20 0.47
USP28 Q96RU2 1/20 0.47
SLC29A1 Q99808 1/20 0.47
SMO Q99835 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
GRM4 Q14833 1/20 0.43

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
SCHEMBL26034631 0.89 MAPK14 (0.48) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL1019367 0.88 ALB (0.62) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL12727302 0.86 ALB (0.59) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL10287531 0.86 TRPV1 (0.45) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL13628989 0.85 GRM4 (0.48) TRPV1GRM4
SCHEMBL12214925 0.82 CA2 (0.56) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL12727144 0.82 TRPV1 (0.47) TRPV1
SCHEMBL12727306 0.82 NPC1 (0.59)
SCHEMBL12727286 0.82 ALB (0.49) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL2619532 0.81 ALB (0.58) ALBHTR1ASLC6A2PDE4AOPRM1

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-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 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-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO ALB 4881/4885HTR1A 1322/4885SLC6A2 4842/4885

“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.