SCHEMBL4705340

SCHEMBL4705340

CCOC(=O)c1cc2cc3c(nc2s1)CC[C@H](C(C)(C)CC)C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 3/20 0.35
POLB P06746 2/20 0.35
CYP2C19 P33261 1/20 0.35
KLF5 Q13887 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5997840 1.00 RORC (0.46) RORCKDM4EALDH1A1HPGDTDP1
SCHEMBL4705338 1.00 RORC (0.46) RORCKDM4EALDH1A1HPGDTDP1
SCHEMBL4703675 0.92 KDM4E (0.41) RORCKDM4EALDH1A1HPGDTDP1
SCHEMBL5995334 0.92 KDM4E (0.41) RORCKDM4EALDH1A1HPGDTDP1
SCHEMBL4701703 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL4702415 0.77 MAPT (0.40) RORCKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL22691739 0.77 MAPT (0.40) RORCKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL22699253 0.77 ALDH1A1 (0.39) RORCKDM4EALDH1A1HPGDTDP1
SCHEMBL29926097 0.77 MAPT (0.40) RORCKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL4701786 0.77 MAPT (0.40) RORCKDM4EALDH1A1L3MBTL1MAPT

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
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C RORC 2343/4885KDM4E 501/4885ALDH1A1 2371/4885

“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.