SCHEMBL5883541

SCHEMBL5883541

CC(CC=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PGR P06401 1/20 0.42
PNMT P11086 1/20 0.41
ACP3 P15309 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA1D P25100 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL9580067 0.87 HDAC4 (0.42) ALDH1A1HPGDAOC3HDAC4HDAC2
SCHEMBL23745172 0.82 PNMT (0.41) ALDH1A1HPGDPGRPNMTACP3
SCHEMBL29364274 0.81 HDAC4 (0.43) ALDH1A1HPGDPGRHDAC4HDAC2
SCHEMBL30987496 0.81 HDAC4 (0.43) ALDH1A1HPGDPGRHDAC4HDAC2
SCHEMBL18316475 0.81 HDAC4 (0.43) ALDH1A1HPGDPGRHDAC4HDAC2
SCHEMBL180401 0.81 HDAC4 (0.43) ALDH1A1HPGDPGRHDAC4HDAC2
SCHEMBL5542593 0.80 ALDH1A1 (0.39) ALDH1A1HPGDPGRPNMTACP3
SCHEMBL3233190 0.80 ACP3 (0.41) ALDH1A1HPGDACP3AOC3KMT2A
SCHEMBL17691229 0.79 PNMT (0.44) ALDH1A1HPGDPGRPNMTACP3
SCHEMBL19361662 0.79 AOC3 (0.38) ALDH1A1HPGDPGRPNMTACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
CN-1441781-A Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AG (SE) 2003-09-10 CN disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 WO disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 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 (4 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 ALDH1A1 305/4885HPGD 189/4885PGR 1576/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 ALDH1A1 452/4885HPGD 158/4885PGR 2080/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 ALDH1A1 305/4885HPGD 189/4885PGR 1576/4885
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 ALDH1A1 690/4885HPGD 256/4885PGR 1038/4885

“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.