SCHEMBL13684191

SCHEMBL13684191

Cc1[nH]nc2c1CCSC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
TSHR P16473 1/20 0.35
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
MEN1 O00255 1/20 0.30
ALPL P05186 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9947019 0.70
SCHEMBL14045627 0.68 TSHR (0.47) TSHRMEN1ALPLMAPK1KMT2A
SCHEMBL16847016 0.65 PNMT (0.39) TSHRMEN1ALPLMAPK1KMT2A
SCHEMBL19153185 0.64 PARP1 (0.46) PARP1PARP15PARP3TNKSTNKS2
SCHEMBL22854378 0.61 PNMT (0.39) TSHRMEN1ALPLMAPK1KMT2A
SCHEMBL18237823 0.60 HCAR2 (0.35)
SCHEMBL21388626 0.60 HCAR2 (0.35) TSHRMEN1KMT2A
SCHEMBL12094414 0.60 WNT3A (0.38) TSHRTNKS2MEN1ALPLMAPK1
SCHEMBL18770377 0.60
SCHEMBL13151082 0.59 PNMT (0.37) MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 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 (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-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 PARP1 2138/4885PARP15 555/4885PARP3 1454/4885

“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.