SCHEMBL4955341

SCHEMBL4955341

Cc1cccc(C(=O)O)c1NC(=O)OCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.44
CACNA1B Q00975 5/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
LTB4R Q15722 1/20 0.41

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
Carbamic Acid SCHEMBL4407325 0.96 NLRP3 (0.44) NLRP3POLBKDM4ECACNA1BMMP1
Carbamic Acid SCHEMBL4407322 0.96 NLRP3 (0.44) NLRP3POLBKDM4ECACNA1BMMP1
SCHEMBL4404884 0.81 TRPM2 (0.49) POLBKDM4EMMP1MMP2MMP9
SCHEMBL4404890 0.81 TRPM2 (0.49) POLBKDM4EMMP1MMP2MMP9
SCHEMBL1095326 0.80 NLRP3 (0.61) NLRP3POLBKDM4ELMNAMAPT
SCHEMBL9147553 0.79 SMN1; SMN2 (0.50) KDM4ECACNA1BMMP1MMP2MMP9
SCHEMBL9147560 0.79 SMN1; SMN2 (0.50) KDM4ECACNA1BMMP1MMP2MMP9
SCHEMBL6929631 0.78 NPC1 (0.63) NLRP3POLBKDM4ELMNACASP3
SCHEMBL4955339 0.75 L3MBTL1 (0.57) POLBKDM4EMAPT
SCHEMBL11229669 0.74 MMP1 (0.52) KDM4ECACNA1BMMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-11-23 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-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SBDS, DRD2, GRIN2D NLRP3 2610/4885POLB 383/4885KDM4E 1423/4885

“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.