SCHEMBL4887240

SCHEMBL4887240

CC(C)(CCn1cnc2ccc(C(=O)O)nc21)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.40
ALDH1A1 P00352 1/20 0.33
MAPK14 Q16539 1/20 0.33
SLC40A1 Q9NP59 3/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
SLC16A3 O15427 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL4893741 0.91 KMT2A (0.41) ALDH1A1SLC40A1HPGDMEN1KMT2A
SCHEMBL4892890 0.88 MMP2 (0.39) MMP2ALDH1A1SLC40A1HPGDMEN1
SCHEMBL4772779 0.86 ADRB3 (0.44) MMP2HPGDNR1I2
SCHEMBL4773343 0.86 ADRB3 (0.44) MMP2HPGDNR1I2
SCHEMBL4889589 0.86 ADRB3 (0.44) MMP2HPGDNR1I2
SCHEMBL4894151 0.86 HPGD (0.35) MMP2ALDH1A1SLC40A1HPGDMEN1
SCHEMBL4896292 0.86 HPGD (0.37) MMP2ALDH1A1HPGDMEN1CRHBP
SCHEMBL4915383 0.85 FGFR1 (0.36) ALDH1A1HPGDMEN1CRHBPKMT2A
SCHEMBL4914673 0.84 CCR2 (0.34) ALDH1A1MEN1KMT2ANR1I2
SCHEMBL2201475 0.83 NR1I2 (0.40) ALDH1A1HPGDKMT2ASLC16A3NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US claimed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 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 (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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 MMP2 3236/4885ALDH1A1 1087/4885MAPK14 2573/4885

“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.