SCHEMBL4333029

SCHEMBL4333029

CCCC(O)(CCC)[C@@H](CC(C)C)NC(=O)C(C)(C)C(=O)N[C@H](CC(C)C)C(O)(CCC)CCC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G10 O15496 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL4335622 0.86 ALDH1A1 (0.32) LMNAALDH1A1
SCHEMBL4335872 0.84 PLA2G2A (0.35) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL4337974 0.82 PSMB5 (0.34) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL4349367 0.80 TSHR (0.34) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL4348964 0.80 ALDH1A1 (0.35) LMNAALDH1A1
SCHEMBL4337425 0.77 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL1153325 0.76 SPHK1 (0.31) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL4335485 0.75 ALDH1A1 (0.32) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL4344209 0.74 CTRB1 (0.42) RAB9AALDH1A1
SCHEMBL1153562 0.73 PSEN1 (0.33) TSHRLMNACYP3A4NFKB1ADRA1A

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-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 TSHR 2545/4885LMNA 193/4885CYP3A4 871/4885

“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.