SCHEMBL992905

SCHEMBL992905

CCCCCC(N)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.54
KMT2A Q03164 2/20 0.51
CASP3 P42574 1/20 0.48
EPHX2 P34913 1/20 0.46

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
Bromide SCHEMBL19100909 0.99 TLR2 (0.54) TLR2KMT2ACASP3EPHX2
Bromide SCHEMBL15640173 0.90 KMT2A (0.53) TLR2KMT2ACASP3EPHX2
Hydrochloric Acid SCHEMBL2524994 0.90 KMT2A (0.53) TLR2KMT2ACASP3EPHX2
SCHEMBL8064281 0.87 TLR2 (0.53) TLR2KMT2ACASP3EPHX2
SCHEMBL17193169 0.87 TLR2 (0.53) TLR2KMT2ACASP3EPHX2
SCHEMBL10074916 0.87 TLR2 (0.53) TLR2KMT2ACASP3EPHX2
SCHEMBL2190711 0.86 KMT2A (0.47) TLR2KMT2ACASP3EPHX2
SCHEMBL8453044 0.86 KMT2A (0.56) TLR2KMT2ACASP3EPHX2
SCHEMBL17193149 0.86 TLR2 (0.52) TLR2KMT2ACASP3EPHX2
Hydrochloric Acid SCHEMBL3162296 0.85 KMT2A (0.55) TLR2KMT2ACASP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 US disclosed
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2012-06-21 US disclosed
EP-2453925-A2 CYCLOSPORIN CONJUGATES UCL Business PLC (GB) 2012-05-23 EP disclosed
WO-2011010084-A2 CYCLOSPORIN CONJUGATES UCL BUSINES PLC (GB) 2011-01-27 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 (2 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 TLR2 2328/4885KMT2A 3065/4885CASP3 567/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 TLR2 2208/4885KMT2A 3078/4885CASP3 582/4885

“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.