SCHEMBL7189450

SCHEMBL7189450

CC(=O)N(C)C(C(=O)O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.36
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
GABRR1 P24046 2/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL7189454 1.00 ADAMTS4 (0.36) ADAMTS4TP53SLC7A5CHRM2CHRM4
SCHEMBL18125943 0.82 ADAMTS4 (0.37) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL20488172 0.82 ADAMTS4 (0.37) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL26157105 0.82 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23118418 0.78 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL19924640 0.78 ALDH1A1 (0.39) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL23296644 0.78 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL19924637 0.78 ALDH1A1 (0.39) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL3935680 0.78 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL23296642 0.78 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 WO disclosed
US-20110297820-A1 PSEUDACYCLIN AND METHOD OF INDICATION OF A FUNGUS PSEUDALLESCHERIA BOYDII INSTITUTE OF MICROBIOLOGY AS CR, V.V.I. (CZ) 2011-12-08 US disclosed
EP-0981358-B1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AG (DE) 2003-05-28 EP disclosed
EP-1021200-B1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AG (DE) 2002-02-06 EP disclosed
EP-1021200-A1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
EP-0981358-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
WO-1999017792-A1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed
WO-1998040092-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
EP-0674652-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1995-10-04 EP disclosed
WO-1994013695-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 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-20110297820-A1 PSEUDACYCLIN AND METHOD OF INDICATION OF A FUNGUS PSEUDALLESCHERIA BOYDII PPIA, PPIG, PPID ADAMTS4 1237/4885TP53 2212/4885SLC7A5 2215/4885

“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.