SCHEMBL487429

SCHEMBL487429

COC(=O)[C@H](O)[C@@H](N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
LTA4H P09960 1/20 0.47
DPP4 P27487 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12067910 1.00 KMT2A (0.58) KMT2ALTA4HDPP4CYP3A4CYP1A2
SCHEMBL4731036 1.00 KMT2A (0.58) KMT2ALTA4HDPP4CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL6427164 0.98 KMT2A (0.56) KMT2ALTA4HDPP4CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL27549891 0.98 KMT2A (0.56) KMT2ALTA4HDPP4CYP3A4CYP1A2
Ammonia Solution, Strong SCHEMBL6349111 0.98 KMT2A (0.56) KMT2ALTA4HDPP4CYP3A4CYP1A2
Acetic Acid SCHEMBL27782195 0.96 KMT2A (0.55) KMT2ALTA4HDPP4CYP3A4CYP1A2
Acetic Acid SCHEMBL487399 0.96 KMT2A (0.55) KMT2ALTA4HDPP4CYP3A4CYP1A2
Formic Acid SCHEMBL2806812 0.93 KMT2A (0.56) KMT2ALTA4HDPP4CYP3A4CYP1A2
SCHEMBL4884767 0.82 MMP8 (0.51) KMT2ADPP4TSHRMEN1
SCHEMBL6156033 0.82 MMP8 (0.51) KMT2ADPP4TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014099850-A1 FACTOR IXa 318R/A MUTANT MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-8106231-B2 Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt INDENA S.P.A. (IT) 2012-01-31 US disclosed
US-8106231-B2 Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt INDENA S.P.A. (IT) 2012-01-31 US disclosed
US-8106231-B2 Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt INDENA S.P.A. (IT) 2012-01-31 US disclosed
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2010-07-01 US disclosed
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2010-07-01 US disclosed
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2010-07-01 US disclosed
US-20100099896-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN HANMI PHARM. CO. LTD (KR) 2010-04-22 US disclosed
EP-1961735-B1 Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt INDENA SPA (IT) 2009-11-18 EP disclosed
EP-1961735-B1 Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt INDENA SPA (IT) 2009-11-18 EP disclosed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP disclosed
US-5821363-A Antineoplastic use and pharmaceutical compositions containing them PHARMACIA & UPJOHN COMPANY (US) 1998-10-13 US disclosed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO disclosed
EP-0741716-A1 DELTA 12,13 -ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP disclosed
US-5556878-A Δ6,7 -taxols antineoplatic use and pharmaceutical compositions containing them THE UPJOHN COMPANY (US) 1996-09-17 US disclosed
EP-0703909-A1 $g(D)?6,7 -TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1996-04-03 EP disclosed
EP-0674630-A1 7-HALO- AND 7$g(b),8$g(b)-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1995-10-04 EP disclosed
WO-1995020582-A1 Δ12,13-ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO disclosed
WO-1994029288-A1 Δ6,7-TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE UPJOHN COMPANY (US) 1994-12-22 WO disclosed
WO-1994013655-A1 7-HALO- AND 7β,8β-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE UPJOHN COMPANY (US) 1994-06-23 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-20100099896-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN MCL1, DPYD, THPO KMT2A 3620/4885LTA4H 4029/4885DPP4 4062/4885
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT SPTSSB, SRR, MTAP KMT2A 1909/4885LTA4H 4483/4885DPP4 3269/4885

“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.