SCHEMBL17488471

SCHEMBL17488471

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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 0.87 MEN1 (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17488470 0.84 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4947604 0.81 CYP3A4 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17667848 0.81 CYP3A4 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5197621 0.80 CYP1A2 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17488476 0.80 MEN1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7103339 0.80 MEN1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7103335 0.80 MEN1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12899344 0.78 CYP1A2 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL18517554 0.78 CYP1A2 (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 2466/4885CYP1A2 955/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 MEN1 4476/4885KMT2A 2489/4885CYP1A2 1143/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA MEN1 4522/4885KMT2A 2466/4885CYP1A2 955/4885

“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.