SCHEMBL6818900

SCHEMBL6818900

COc1ccccc1C(=O)NC(C(=O)N1CCC[C@H]1C=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
PREP P48147 1/20 0.47
FAP Q12884 1/20 0.47
KCNH2 Q12809 1/20 0.46
MTTP P55157 2/20 0.44
TACR1 P25103 1/20 0.44
KCNA3 P22001 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5525818 0.85 ALDH1A1 (0.47) ALDH1A1HPGDTACR1KCNA3KMT2A
SCHEMBL718729 0.85 ACE (0.49) ALDH1A1KMT2A
SCHEMBL714622 0.84 NPC1 (0.46) ALDH1A1HPGDPREPKCNA3KMT2A
SCHEMBL14434719 0.82 ALDH1A1 (0.43) ALDH1A1HPGDKCNA3KMT2A
SCHEMBL12949920 0.79 KMT2A (0.53) ALDH1A1HPGDPREPFAPKMT2A
SCHEMBL12949802 0.78 PREP (0.43) PREPFAP
SCHEMBL8288957 0.76 CCR1 (0.44) PREP
SCHEMBL12949799 0.76 PREP (0.44) PREPFAPKMT2A
SCHEMBL14181582 0.75 STAT6 (0.42)
SCHEMBL16708322 0.74 F2RL3 (0.49) PREPFAPKCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 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 (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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 ALDH1A1 379/4885HPGD 1039/4885PREP 81/4885

“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.