SCHEMBL3210403

SCHEMBL3210403

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL29439334 1.00 CASP3 (0.49) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL13489762 1.00 CASP3 (0.49) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL119497 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL1564185 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL6038102 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL118209 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL14019298 0.89 POLB (0.51) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL1486287 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL1486214 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4
SCHEMBL30896048 0.89 CASP3 (0.52) CASP3KMT2APIN1EPHX2CYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 — — US claimed
WO-2008106080-A9 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 — — WO claimed
WO-2008106080-A2 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-09-04 — — WO claimed
US-20170291955-A1 BISPECIFIC HER2 ANTIBODIES ASTRAZENECA UK LIMITED (GB) 2017-10-12 — — US disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 — — US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 — — US disclosed
US-9226974-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2016-01-05 — — US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 — — US disclosed
WO-2015157592-A1 BISPECIFIC HER2 ANTIBODIES MEDIMMUNE, LLC (US) 2015-10-15 — — WO disclosed
WO-2015155345-A1 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES MEDIMMUNE LIMITED (GB) 2015-10-15 — — WO disclosed
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2014-10-30 — — US disclosed
US-5750767-A REACTING PROTECTED AMINO ACID WITH FLUOROFORMAMIDINIUM SALT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-05-12 — — US disclosed
US-5712418-A FLUOROFORMAMIDINIUM SALTS AS FLUORINATION AGENTS TO FORM PEPTIDES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-01-27 — — US disclosed
WO-1996004297-A9 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS — 1996-05-02 — — WO disclosed
WO-1996004297-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-02-15 — — WO disclosed
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 — — EP disclosed
US-5360928-A Synthesis and use of amino acid fluorides as peptide coupling reagents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-01 — — US disclosed
EP-0496836-A4 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS — 1993-05-05 — — EP disclosed
EP-0496836-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS. RES CORP TECHNOLOGIES INC (US) 1992-08-05 — — EP disclosed
WO-1991005564-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-05-02 — — 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 (5 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-20170291955-A1 BISPECIFIC HER2 ANTIBODIES ERBB2, EGFR, ERBB3 CASP3 3612/4885KMT2A 1894/4885PIN1 3069/4885
US-20150291657-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK CASP3 912/4885KMT2A 2974/4885PIN1 4597/4885
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 CASP3 650/4885KMT2A 2238/4885PIN1 1195/4885
US-20160339114-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK CASP3 912/4885KMT2A 2974/4885PIN1 4597/4885
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF XDH, XPA, TPX2 CASP3 690/4885KMT2A 2105/4885PIN1 1641/4885

“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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