SCHEMBL1337248

SCHEMBL1337248

CC1CCN(C(=O)C(CCc2ccccc2Br)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
CCR10 P46092 3/20 0.39
ACHE P22303 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GRM5 P41594 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 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
SCHEMBL1338084 0.88 CCR10 (0.51) HPGDCCR10ACHEGAAALDH1A1
SCHEMBL1338008 0.85 CCR10 (0.43) HPGDCCR10ACHEALDH1A1
SCHEMBL1335996 0.81 HPGD (0.39) HPGDCCR10ACHEALDH1A1TSHR
SCHEMBL1338213 0.81 ALDH1A1 (0.40) HPGDACHEGAAALDH1A1KDM4E
SCHEMBL1336214 0.80 CHRM1 (0.41) HPGDCHRM1KDM4ELMNAKMT2A
SCHEMBL15936170 0.77 CCR10 (0.49) HPGDCCR10ACHEGAAALDH1A1
SCHEMBL1414846 0.74 CCR10 (0.48) CCR10
SCHEMBL6543188 0.72 F2 (0.39) HPGDCCR10ACHEALDH1A1CHRM2
SCHEMBL1337304 0.66 HPGD (0.56) HPGDCCR10ACHEGAAALDH1A1
SCHEMBL6526522 0.65 DPP4 (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2294051-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM Boehringer Ingelheim International GmbH (DE) 2011-03-16 EP disclosed
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 WO 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-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM CCR10, CCR1, CCR3 HPGD 3315/4885CCR10 1/4885ACHE 2587/4885

“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.