SCHEMBL3114368

SCHEMBL3114368

Cn1ncc(C(CNC(=O)O)CNC(=O)O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
LPAR1 Q92633 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NR3C1 P04150 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 1/20 0.32
VNN1 O95497 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NTRK1 P04629 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
SCHEMBL4202432 0.83 CNR1 (0.35) GAALPAR1ALDH1A1KDM4ENR3C1
SCHEMBL5498848 0.79 NTRK1 (0.36) GAALPAR1ALDH1A1KDM4ENR3C1
SCHEMBL3107474 0.78 NTRK1 (0.38) GAALPAR1BRD4BRD9NTRK1
SCHEMBL5007901 0.77 BCDIN3D (0.33) LPAR1ACSS2
SCHEMBL3113265 0.76 NTRK1 (0.33) GAALPAR1ALDH1A1KDM4ELMNA
SCHEMBL3118553 0.76 CXCR2 (0.33) BRD4BRD9MAPK1
SCHEMBL3119092 0.75 LPAR1 (0.38) LPAR1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5493797 0.74 NTRK1 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL17853170 0.74 KDM4C (0.42) GAALPAR1ALDH1A1KDM4ENR3C1
SCHEMBL4205056 0.74 ACSS2 (0.31) ACSS2

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-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S GAA 3639/4885LPAR1 2862/4885ALDH1A1 1854/4885

“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.