SCHEMBL7188012

SCHEMBL7188012

CCOC(=O)CC(NC(=O)C(C)c1ccccc1)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 4/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
PTGES O14684 1/20 0.38
LMNA P02545 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PKM P14618 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL7194810 0.90 POLB (0.46) POLBHTR6ALDH1A1MAPTADRB2
SCHEMBL7196506 0.89 POLB (0.47) POLBHTR6ALDH1A1MAPTLMNA
SCHEMBL7189153 0.88 PKM (0.40) POLBHTR6ALDH1A1MAPTADRB2
SCHEMBL3834077 0.87 ALDH1A1 (0.50) POLBHTR6ALDH1A1MAPTLMNA
SCHEMBL7193876 0.86 ALDH1A1 (0.55) ALDH1A1MAPTLMNATDP1PKM
SCHEMBL7194448 0.86 GPR88 (0.45) ALDH1A1LMNAGPR88
SCHEMBL7197328 0.85 GPR119 (0.41) POLBHTR6ALDH1A1MAPTADRB2
SCHEMBL3809843 0.83 POLB (0.40) POLBHTR6ALDH1A1MAPTADRB2
SCHEMBL7189141 0.82 ALDH1A1 (0.40) POLBHTR6ALDH1A1MAPTADRB2
SCHEMBL7197323 0.80 MAPT (0.44) POLBALDH1A1MAPTADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589972-B2 Anticancer agents, osteoporosis, arteriosclerosis, restnosis,vision defects BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists SCHOOP ANDREAS (DE) 2001-10-18 US disclosed
US-6291503-B1 β-phenylalanine derivatives as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 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-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 POLB 3274/4885HTR6 2228/4885ALDH1A1 2010/4885

“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.