SCHEMBL13684192

SCHEMBL13684192

Cc1[nH]nc2c1CCS(=O)(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL17232740 0.70 ALDH1A1 (0.30) ALDH1A1MAPTHPGDHSD17B10
SCHEMBL19153671 0.68 PARP1 (0.31) —
SCHEMBL19153920 0.68 PDPK1 (0.31) —
SCHEMBL12094401 0.67 TSHR (0.48) TSHRMEN1ALPLMAPK1KMT2A
SCHEMBL19153230 0.67 CYP2C19 (0.33) KMT2AMAPTHPGD
SCHEMBL13151081 0.64 CYP2C19 (0.46) TSHRALDH1A1HPGDKDM4E
SCHEMBL17229783 0.63 CYP2C19 (0.31) —
SCHEMBL19153929 0.63 PARP1 (0.33) —
SCHEMBL13684191 0.62 PARP1 (0.39) TSHRMEN1ALPLMAPK1KMT2A
SCHEMBL19131108 0.61 PARP1 (0.34) —

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 TSHR 2844/4885MEN1 4360/4885ALPL 4143/4885

“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.

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