SCHEMBL2743715

SCHEMBL2743715

C=CCCC(=O)NNC(=O)N[C@H](C(=O)OC)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 6/20 0.38
THRB P10828 1/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
BIRC2 Q13490 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL733203 0.73 ALDH1A1 (0.40) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL10537515 0.72 TSHR (0.42) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL10537510 0.72 TSHR (0.42) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL24740152 0.69 MAPT (0.40) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL13888697 0.68 ALDH1A1 (0.36) MAPTALDH1A1LMNA
SCHEMBL18618726 0.68 MAPT (0.39) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL7986120 0.68 BIRC2 (0.48) MAPTHSD17B10ALDH1A1CA12CA14
SCHEMBL20906631 0.68 TSHR (0.54) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL20906634 0.68 TSHR (0.54) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL1274030 0.68 TSHR (0.42) MAPTHSD17B10MEN1KMT2AGAA

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-2027144-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS MSD ITALIA SRL (IT) 2015-04-29 EP disclosed
US-8178520-B2 Macrocyclic compounds as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-05-15 US disclosed
US-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-10-15 US 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-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L MAPT 4036/4885HSD17B10 3233/4885MEN1 1736/4885

“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.