SCHEMBL14776455

SCHEMBL14776455

CCOC(=O)[C@H](CS)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 2/20 0.46
TP53 P04637 1/20 0.44
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
DHODH Q02127 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
MMP8 P22894 1/20 0.42
BCL2 P10415 1/20 0.42
FFAR1 O14842 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
SCHEMBL28186906 0.89 SMN1; SMN2 (0.49) PDCD1CD274MEN1KMT2AMMP8
SCHEMBL1780144 0.89 SMN1; SMN2 (0.49) PDCD1CD274MEN1KMT2AMMP8
SCHEMBL1781525 0.89 SMN1; SMN2 (0.49) PDCD1CD274MEN1KMT2AMMP8
SCHEMBL14776768 0.89 MEN1 (0.49) PDCD1CD274MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL7323482 0.88 SMN1; SMN2 (0.48) PDCD1CD274MEN1KMT2AMMP8
Hydrochloric Acid SCHEMBL3366422 0.88 SMN1; SMN2 (0.48) PDCD1CD274MEN1KMT2AMMP8
SCHEMBL29176922 0.84 CD274 (0.49) PDCD1CD274MEN1KMT2AAOC3
SCHEMBL10519227 0.78 PPID (0.43) PDCD1CD274MEN1KMT2A
SCHEMBL1839763 0.78 ATM (0.55) MEN1KMT2A
SCHEMBL7856109 0.78 ATM (0.55) MEN1KMT2A

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-20130072722-A1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-21 US claimed
US-20130072722-A1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-21 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-20130072722-A1 SUPPORTED METAL CATALYSTS SOD1, HNMT, SOD3 PDCD1 984/4885CD274 1106/4885MEN1 831/4885

“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.