SCHEMBL10259783

SCHEMBL10259783

Cc1oc(=O)oc1COC(=O)CC(NC(=O)OC(C)(C)C)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ MMEL1 Q495T6 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CTSA P10619 1/20 0.35
▸ UTS2R Q9UKP6 3/20 0.35
▸ CYP26A1 O43174 1/20 0.35
▸ MME P08473 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ GAA P10253 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
SCHEMBL3703920 0.87 MMEL1 (0.47) CTSLMMEL1MME
SCHEMBL3703921 0.84 FFAR1 (0.36) MMEL1FFAR1MMEMAPT
SCHEMBL2873259 0.81 MMEL1 (0.47) MMEL1UTS2RLMNAKMT2A
SCHEMBL10267558 0.76 KDM4E (0.44) TP53ALDH1A1KDM4E
SCHEMBL3703922 0.74 MMEL1 (0.37) MMEL1MME
SCHEMBL8551528 0.74 MME (0.64) MMEL1MME
SCHEMBL23256360 0.71 SCN9A (0.47) ALDH1A1KDM4EHTTCTSBCTSS
SCHEMBL19833260 0.71 CACNA1B (0.51) TP53CTSLCTSSMAPTCACNA1B
SCHEMBL18133732 0.71 CACNA1B (0.51) TP53CTSLCTSSMAPTCACNA1B
SCHEMBL2779899 0.70 MMEL1 (0.62) CTSLMMEL1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 — — 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-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME TP53 4285/4885THRB 2557/4885CTSL 125/4885

“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.

Send feedback