SCHEMBL29678088

SCHEMBL29678088

CC(C)[C@H](NC(=O)CCCC(=O)O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.44
▸ SSTR3 P32745 1/20 0.42
▸ FURIN P09958 8/20 0.41
▸ SIRT5 Q9NXA8 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PDF Q9HBH1 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.36

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
SCHEMBL26223112 0.94 HTR2A (0.43) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL26222559 0.94 HTR2A (0.43) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL17937004 0.93 HTR2A (0.45) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL25013856 0.93 HTR2A (0.45) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL30479875 0.93 HTR2A (0.43) HTR2ASSTR3FURINALDH1A1PDF
SCHEMBL25247251 0.93 HTR2A (0.43) HTR2ASSTR3FURINALDH1A1PDF
SCHEMBL17312917 0.92 HTR2A (0.44) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL17902992 0.92 ALDH1A1 (0.46) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL15528822 0.92 HTR2A (0.47) HTR2ASSTR3FURINSIRT5ALDH1A1
SCHEMBL15528820 0.92 HTR2A (0.47) HTR2ASSTR3FURINSIRT5ALDH1A1

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-11352348-B2 Splicing modulator antibody-drug conjugates and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-07 — — 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-11352348-B2 Splicing modulator antibody-drug conjugates and methods of use RBM17, RBM22, SF3B1 HTR2A 3646/4885SSTR3 3242/4885FURIN 2401/4885

“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.

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