SCHEMBL10305331

SCHEMBL10305331

CC(Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc1)NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PLA2G1B P04054 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 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
SCHEMBL10305334 0.84 ALDH1A1 (0.45) ADRB1ADRB3ALDH1A1KDM4EHPGD
SCHEMBL27686209 0.82 ACACB (0.49) ADRB1ADRB3ALDH1A1HTTSMN1; SMN2
SCHEMBL10305317 0.82 DNMT3A (0.52) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL4015377 0.80 P2RX1 (0.56) ALDH1A1HTTSMN1; SMN2LMNAKCNH2
SCHEMBL10305332 0.73 SYK (0.53) ADRB1ADRB3LMNAMAPT
SCHEMBL26703849 0.73 ACACB (0.55) ALDH1A1MAPTACACBFPR2
SCHEMBL21423064 0.71 ALOX5 (0.66) ALDH1A1HTTKDM4EMEN1HPGD
SCHEMBL5371578 0.71 CA1 (0.55) HTTSMN1; SMN2LMNAKCNH2KDM4E
SCHEMBL1154141 0.71 ALDH1A1 (0.52) ADRB1ADRB3ALDH1A1KDM4EACACB
SCHEMBL10305328 0.70 CA12 (0.55) CA12CA1CA2CA9CA14

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-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20110039851-A1 CCR10 ANTAGONISTS CCR10, CCR1, CCR4 ADRB1 110/4885ADRB3 425/4885ALDH1A1 3036/4885

“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.