SCHEMBL530337

SCHEMBL530337

O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
HPGD P15428 1/20 0.67
HDAC1 Q13547 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
CTRB1 P17538 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
HPGDS O60760 1/20 0.49
SLC1A2 P43004 1/20 0.49
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 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
SCHEMBL4164616 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL6277 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL1271236 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL27882748 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL8108955 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Water SCHEMBL8429009 0.98 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28442347 0.98 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL28736318 0.89 LMNA (0.61) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL28736239 0.89 SMN1; SMN2 (0.61) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL28736268 0.89 NPC1 (0.61) LMNAHPGDHDAC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694660-B1 PROCESS FOR THE PREPARATION OF ANHYDROUS AND HYDRATED ACTIVE PHARMACEUTICAL INGREDIENTS (APIS); STABLE PHARMACEUTICAL COMPOSITIONS PREPARED FROM THE SAME AND USES OF SAID COMPOSITIONS QUIRAL QUIMICA DO BRASIL (BR) 2009-04-08 EP claimed
CN-101365440-A Methods of treating cancer with SAHA, carboplatin, and paclitaxel, and other combination therapies MERCK & CO INC (US) 2009-02-11 CN claimed
EP-1942884-A2 METHODS OF TREATING CANCERS WITH SAHA, CARBOPLATIN, AND PACLITAXEL AND OTHER COMBINATION THERAPIES Merck and Co., Inc. (US) 2008-07-16 EP claimed
WO-2007056162-A2 METHODS OF TREATING CANCERS WITH SAHA, CARBOPLATIN, AND PACLITAXEL AND OTHER COMBINATION THERAPIES MERCK & CO., INC. (US) 2007-05-18 WO claimed
EP-1492523-A2 METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-05 EP claimed
EP-1483401-A1 METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-08 EP claimed
EP-1368328-A1 METHODS FOR PREPARING NEW TAXOIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2003-12-10 EP claimed
WO-2003076660-A1 METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-18 WO claimed
US-20030138864-A1 Method for identifying an enzyme to design anti-cancer compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-24 US claimed
WO-2003043631-A2 METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-30 WO claimed
WO-2002070498-A1 METHODS FOR PREPARING NEW TAXOIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA, S.A. (FR) 2002-09-12 WO claimed
US-5663393-A CYCLIZATION; DECYCLIZATION; HYDROLYSIS; HYDROGENATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-09-02 US claimed
US-5602272-A Reduction and resolution methods for the preparation of compounds useful as intemediates for preparing taxanes BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-11 US claimed
WO-1996022984-A9 METHOD FOR PREPARING 4,10-DIACETOXY-2α-BENZOYLOXY-5β,20-EPOXY-1,7β-DIHYDROXY-9-OXO-TAX-11-EN-13α-YL (2R,3S)-3-BENZOYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE TRIHYDRATE 1996-10-31 WO claimed
CN-1123030-A Inclusion complexes of taxol or taxotere or taxus extract formed with cyclodextrins, its preparation and use CHINOIN GYOGYSZER ES VEGYESZET (HU) 1996-05-22 CN claimed
EP-0643626-A4 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL. RES CORP TECHNOLOGIES INC (US) 1995-12-06 EP claimed
WO-1995008994-A1 ANTINEOPLASTIC COMBINATION OF TAXOL AND TIAZOFURIN INDIANA UNIVERSITY FOUNDATION (US) 1995-04-06 WO claimed
EP-0643626-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-22 EP claimed
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO claimed
WO-1993003838-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-03-04 WO claimed

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-20030138864-A1 Method for identifying an enzyme to design anti-cancer compounds RNASE1, GUSB, DPEP1 LMNA 4056/4885HPGD 257/4885HDAC1 884/4885

“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.