SCHEMBL17488476

SCHEMBL17488476

COc1cc(CNC(=O)[C@@H](NC(=O)C(C)c2ccc(CC(C)C)cc2)C(C)C)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.48
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
ERCC1 P07992 1/20 0.47

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
SCHEMBL17476717 0.82 MEN1 (0.67) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL17488471 0.80 MEN1 (0.63) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL29224597 0.79 ERCC1 (0.74) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL29224595 0.79 ERCC1 (0.74) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL29224596 0.79 ERCC1 (0.74) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL15543489 0.77
SCHEMBL5197621 0.76 CYP1A2 (0.59) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL7103339 0.75 MEN1 (0.57) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL7103335 0.75 MEN1 (0.57) MEN1KMT2ACYP3A4TSHRCYP1A2
SCHEMBL17667848 0.75 CYP3A4 (0.60) MEN1KMT2ACYP3A4TSHRCYP1A2

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-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 US disclosed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 US disclosed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 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 (3 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-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA MEN1 4522/4885KMT2A 2466/4885CYP3A4 403/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 MEN1 4476/4885KMT2A 2489/4885CYP3A4 1131/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA MEN1 4522/4885KMT2A 2466/4885CYP3A4 403/4885

“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.