SCHEMBL4276791

SCHEMBL4276791

CCOC(=O)[C@@H](Nc1ccc(F)c(Cl)c1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 4/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 5/20 0.46
SLC2A1 P11166 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL4276786 1.00 TSHR (0.51) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL7379755 0.86 TSHR (0.54) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL7379752 0.86 TSHR (0.54) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL10955790 0.83 CA12 (0.52) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4626240 0.82 TSHR (0.54) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL4626235 0.82 TSHR (0.54) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL1877841 0.79 TSHR (0.51) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL10958781 0.79 SMN1; SMN2 (0.45) TSHRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30713077 0.77 AURKA (0.48) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL28511516 0.77 AURKA (0.48) LMNAMEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
EP-1730099-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2008-03-12 EP disclosed
EP-1730099-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005092011-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-10-06 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-20080234281-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B TSHR 4737/4885KDM4E 525/4885LMNA 2230/4885

“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.