SCHEMBL6289940

SCHEMBL6289940

CCOC(=O)C1=CC=C2SCC=C2N1NC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL6034341 0.64 TSHR (0.35) ALDH1A1SMN1; SMN2TSHRHPGDNPSR1
SCHEMBL7961272 0.56 TSHR (0.39) SMN1; SMN2TSHRHPGDHTTNPSR1
Diethyl Phthalate SCHEMBL27744504 0.56 TSHR (0.88) ALDH1A1TSHRHTTNPSR1TDP1
SCHEMBL15908738 0.56 TSHR (0.46) ALDH1A1SMN1; SMN2TSHRNPSR1GAA
SCHEMBL4263380 0.56 MEN1 (0.39) ALDH1A1SMN1; SMN2TSHRHPGDGAA
SCHEMBL6561033 0.56 LMNA (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9031305 0.56 TSHR (0.41) ALDH1A1NPC1SMN1; SMN2TSHRHPGD
SCHEMBL87450 0.55 CA1 (0.83) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL669565 0.55 GAA (0.45) ALDH1A1SMN1; SMN2TSHRHPGDNPSR1
Cyclohexane SCHEMBL2917907 0.55 CA1 (0.73) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR

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
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 ALDH1A1 1372/4885RAB9A 3129/4885NPC1 2342/4885

“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.