SCHEMBL6287076

SCHEMBL6287076

CC(C)(C)OC(=O)NCCCC[C@](N)(C(=O)Cc1ccsc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@](N)(CCCCNC(=O)OC(C)(C)C)C(=O)Cc3ccsc3)cc2)c2ccc(NC(=O)[C@](N)(CCCCNC(=O)OC(C)(C)C)C(=O)Cc3ccsc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TDP1 Q9NUW8 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FPR3 P25089 2/20 0.35
FPR2 P25090 2/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PAX8 Q06710 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL6290320 1.00 CA1 (0.39) CA1CA2CTSSCTSKTDP1
SCHEMBL6290991 0.88 RAB9A (0.41) TDP1NPC1RAB9ASIRT5HDAC1
SCHEMBL6287122 0.88 CA1 (0.41) CA1CA2CTSSCTSKTDP1
SCHEMBL6285275 0.84 RAB9A (0.38) TDP1NPC1RAB9AMAPTSIRT5
SCHEMBL6285777 0.84 CYP3A4 (0.50) CA1CA2TDP1NAMPTKDM4E
SCHEMBL6291032 0.82 CA1 (0.39) CA1CA2TDP1FPR3FPR2
Hydrochloric Acid SCHEMBL6285424 0.82 RAB9A (0.39) TDP1NPC1RAB9AMAPTSIRT5
Hydrochloric Acid SCHEMBL6287062 0.82 RAB9A (0.39) TDP1NPC1RAB9AMAPTSIRT5
Hydrochloric Acid SCHEMBL6287055 0.82 RAB9A (0.36) TDP1NPC1RAB9ASIRT5HDAC1
Hydrochloric Acid SCHEMBL6287756 0.82 RAB9A (0.36) TDP1NPC1RAB9ASIRT5HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK CA1 4805/4885CA2 4718/4885CTSS 3765/4885

“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.