SCHEMBL20479216

SCHEMBL20479216

COc1ccc(CC[C@@]2(C)C(=O)N(C(=O)NC(C)c3ccccc3)[C@@H]2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.42
CASR P41180 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ENPP2 Q13822 2/20 0.40
CMA1 P23946 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16989311 1.00 KMT2A (0.52) KMT2AALDH1A1GAAMEN1CASR
SCHEMBL27045518 1.00 KMT2A (0.52) KMT2AALDH1A1GAAMEN1CASR
SCHEMBL16997632 0.94 ALDH1A1 (0.55) KMT2AALDH1A1GAAMEN1CASR
SCHEMBL16997627 0.91 KMT2A (0.43) KMT2AALDH1A1GAAMEN1CASR
SCHEMBL20901310 0.91 KMT2A (0.43) KMT2AALDH1A1GAAMEN1CASR
SCHEMBL16989098 0.89 ALDH1A1 (0.47) KMT2AALDH1A1GAAMEN1CMA1
SCHEMBL16997630 0.88 FKBP1A (0.46) ALDH1A1KDM4ETP53MAPT
SCHEMBL24092107 0.87 KMT2A (0.46) KMT2AALDH1A1GAAMEN1CASR
SCHEMBL16997629 0.85 ALDH1A1 (0.51) KMT2AALDH1A1GAAMEN1
SCHEMBL16997844 0.84 KMT2A (0.41) KMT2AALDH1A1GAAMEN1CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 EP disclosed
US-10259785-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20180244614-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS, INC. 2018-08-30 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 (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-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 KMT2A 973/4885ALDH1A1 4490/4885GAA 1486/4885
US-20180244614-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 KMT2A 973/4885ALDH1A1 4490/4885GAA 1486/4885

“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.