SCHEMBL7189141

SCHEMBL7189141

CCOC(=O)CC(NC(=O)Cc1c(C)cc(C)cc1C)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 2/20 0.38
HTR6 P50406 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL7197225 0.89 MAPT (0.38) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL7781107 0.87 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL7189201 0.87 GAA (0.41) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL7197323 0.84 MAPT (0.44) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL7189153 0.83 PKM (0.40) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL7196506 0.83 POLB (0.47) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL7188012 0.82 POLB (0.47) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL3834077 0.82 ALDH1A1 (0.50) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL7194810 0.81 POLB (0.46) ALDH1A1MAPTPOLBPKMHTR6
SCHEMBL3809843 0.81 POLB (0.40) ALDH1A1MAPTPOLBLMNASMN1; SMN2

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 ALDH1A1 2010/4885MAPT 3865/4885POLB 3274/4885

“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.