SCHEMBL568131

SCHEMBL568131

CC(C)(C)N(Cc1ccnc(S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
SYK P43405 1/20 0.35
CCR1 P32246 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 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
SCHEMBL28572896 0.80 LMNA (0.45) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL28580081 0.79 LOXL2 (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL3298310 0.79 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL68419 0.79 RECQL (0.47) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15939581 0.79 GABRP (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17371937 0.76 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17371971 0.76 CTSK (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL25223657 0.75 MEN1 (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL16989291 0.73 MEN1 (0.39) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL16989065 0.73 RECQL (0.40) MEN1KMT2AHTTL3MBTL1LMNA

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-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MEN1 2604/4885KMT2A 2845/4885HTT 4591/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MEN1 2598/4885KMT2A 2839/4885HTT 4596/4885

“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.