SCHEMBL16599524

SCHEMBL16599524

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.52
▸ PDF Q9HBH1 1/20 0.49
▸ SSTR3 P32745 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TGM2 P21980 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MYOC Q99972 1/20 0.38

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
SCHEMBL20184616 0.93 PDF (0.53) HTR2APDFSSTR3ALDH1A1MAPK1
SCHEMBL19209358 0.87 HTR2A (0.55) HTR2APDFSSTR3ALDH1A1MAPK1
SCHEMBL16599526 0.85 HTR2A (0.54) HTR2APDFSSTR3ALDH1A1MAPK1
SCHEMBL19209361 0.85 HTR2A (0.55) HTR2APDFSSTR3ALDH1A1MAPK1
SCHEMBL15810831 0.84 LTA4H (0.57) HTR2APDFSSTR3ALDH1A1MAPK1
SCHEMBL18949805 0.84 HTR2A (0.52) HTR2APDFSSTR3ALDH1A1MAPK1
SCHEMBL18788630 0.84 SSTR3 (0.65) HTR2APDFSSTR3LTA4H
SCHEMBL18788631 0.84 SSTR3 (0.65) HTR2APDFSSTR3LTA4H
SCHEMBL28354328 0.83 SSTR3 (0.57) HTR2APDFSSTR3LTA4H
SCHEMBL28354330 0.83 SSTR3 (0.57) HTR2APDFSSTR3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 — — US disclosed
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2018-12-20 — — US disclosed
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 — — EP disclosed
EP-3215513-A1 FUNCTIONALIZED MORPHOLINYL ANTHRACYCLINE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2017-09-13 — — EP disclosed
EP-3185908-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES Pfizer Inc (US) 2017-07-05 — — EP disclosed
EP-3049420-A1 THIENO[2,3-e]INDOLE DERIVATIVES AS NEW ANTITUMOR AGENTS Nerviano Medical Sciences S.r.l. (IT) 2016-08-03 — — EP disclosed
WO-2016071418-A1 FUNCTIONALIZED MORPHOLINYL ANTHRACYCLINE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-12 — — WO disclosed
WO-2016030791-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2016-03-03 — — WO disclosed
WO-2015044003-A1 THIENO[2,3-e]INDOLE DERIVATIVES AS NEW ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-02 — — WO 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-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION NGLY1, TEK, TEKT1 HTR2A 3851/4885PDF 1576/4885SSTR3 582/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 HTR2A 3851/4885PDF 1576/4885SSTR3 582/4885

“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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