SCHEMBL4639435

SCHEMBL4639435

CC(C)(C#CC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1)O[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP19A1 P11511 6/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
AKR1C3 P42330 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 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
SCHEMBL4637768 0.85 USP2 (0.37) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL5632871 0.84 USP2 (0.36) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL4671709 0.84 AKR1C3 (0.38) USP2TSHRSMN1; SMN2CYP2D6ALDH1A1
SCHEMBL4638581 0.84 USP2 (0.38) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL4639457 0.83 USP2 (0.35) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL4639425 0.82 USP2 (0.35) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL4637749 0.80 ALDH1A1 (0.53) USP2CYP3A4TSHRHIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL5794894 0.79 ALDH1A1 (0.52) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL4639420 0.78 CYP19A1 (0.60) USP2CYP3A4TSHRHIF1ASMN1; SMN2
SCHEMBL4637813 0.78 IDH1 (0.39) USP2CYP3A4TSHRHIF1ASMN1; SMN2

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 USP2 4458/4885CYP3A4 3767/4885TSHR 337/4885

“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.