SCHEMBL5803387

SCHEMBL5803387

CCC[C@@](N)(NC(N)=S)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FDPS P14324 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TAS2R38 P59533 1/20 0.31

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
SCHEMBL3818403 0.84 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL11708028 0.81 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL12006238 0.81 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL27967649 0.73 CTSK (0.39) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL28844285 0.72 ALDH1A1 (0.39) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL11589563 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8709507 0.70 FDPS (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL10907147 0.69 LMNA (0.36) ALDH1A1LMNAHSD17B10KDM4CTAS2R38
SCHEMBL22124576 0.69 FDPS (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL27790250 0.69 MEN1 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194769-A1 Small molecules that reduce fungal growth UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-31 US claimed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO claimed
US-20060194769-A1 Small molecules that reduce fungal growth UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-31 US disclosed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO disclosed
EP-1046392-A2 Cosmetic and dermatologic compositions for improving the skin barrier function Beiersdorf AG (DE) 2000-10-25 EP disclosed
EP-0969790-A2 COMPOSITIONS FOR TREATING ACNE ROSACEA Beiersdorf Aktiengesellschaft (DE) 2000-01-12 EP disclosed
WO-1998036730-A2 COMPOSITIONS FOR TREATING ACNE ROSACEA BEIERSDORF AG (DE) 1998-08-27 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-20060194769-A1 Small molecules that reduce fungal growth ERG28, DPM1, CYP51A1 ALDH1A1 2931/4885MEN1 3246/4885CYP1A2 1362/4885

“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.