SCHEMBL13684635

SCHEMBL13684635

CCC(=O)c1cc(S(=O)(=O)NC2CC2)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DPP4 P27487 6/20 0.39
DPP7 Q9UHL4 5/20 0.39
KCNH2 Q12809 3/20 0.39
LMNA P02545 4/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13684599 0.88 LMNA (0.43) TP53MAPTKMT2ATDP1LMNA
SCHEMBL13545078 0.88 HPGD (0.44) TP53MAPTKMT2ATDP1DPP4
SCHEMBL13687163 0.84 TP53 (0.48) TP53MAPTKMT2ALMNAALDH1A1
SCHEMBL3530828 0.83 KMT2A (0.45) TP53MAPTKMT2ATDP1DPP4
SCHEMBL13542940 0.82 KMT2A (0.46) TP53MAPTKMT2ATDP1DPP4
SCHEMBL13545095 0.81 SLC1A3 (0.35) KMT2ALMNAALDH1A1TSHRHSD17B10
SCHEMBL13545076 0.81 HMGCR (0.36) KCNH2LMNAALDH1A1TSHRHTT
SCHEMBL13545088 0.80 ALDH1A1 (0.36) LMNAALDH1A1TSHR
SCHEMBL13684789 0.80 LMNA (0.36) MAPTKMT2ALMNAALDH1A1HPGD
SCHEMBL13545052 0.80 KMT2A (0.61) TP53MAPTKMT2ATDP1LMNA

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 6 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-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 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 (2 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 TP53 3933/4885MAPT 4293/4885KMT2A 4579/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 TP53 3553/4885MAPT 2646/4885KMT2A 4592/4885

“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.