SCHEMBL7562755

SCHEMBL7562755

COc1ccc(C(CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 4/20 0.56
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ABCB1 P08183 1/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TNF P01375 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
CACNA1B Q00975 1/20 0.43
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14044935 1.00 GPR88 (0.56) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL17625015 1.00 GPR88 (0.56) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL5706139 0.89 NPSR1 (0.47) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL21715585 0.87 FAAH (0.47) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL30280602 0.86 GPR88 (0.47) GPR88RIPK1CNR2
SCHEMBL1147823 0.86 NPSR1 (0.51) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL2367224 0.86 NPSR1 (0.47) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL7226978 0.86 NPSR1 (0.51) GPR88NPSR1FAAHPPARGPPARA
SCHEMBL5870754 0.86 ABCB11 (0.49) GPR88ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL5676053 0.86 ABCB11 (0.49) GPR88ALDH1A1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239948-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-117946107-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-04-30 CN disclosed
CN-113636983-A Preparation method of (-) -Cytoxane and (+) -4-epi-Cytoxane 深圳市老年医学研究所 2021-11-12 CN disclosed
CN-1441673-A 4,5-dihydro-thiazo-2-ylamine derivatives and their use as NO-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-10 CN disclosed
US-6420566-B2 NITRIC OXIDE SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 GPR88 2369/4885NPSR1 1912/4885FAAH 3411/4885

“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.