SCHEMBL1737637

SCHEMBL1737637

C=C(C)C(=O)NCC(=O)NCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL8376895 0.87 CYP2D6 (0.43) TGFBR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL12642676 0.86 TGFBR1 (0.39) TGFBR1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL16097 0.86 TGFBR1 (0.39) TGFBR1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL4960192 0.84 TGFBR1 (0.38) TGFBR1ALDH1A1MEN1KMT2ARXFP1
Propylene Glycol SCHEMBL28248623 0.81 TGFBR1 (0.44) TGFBR1ALDH1A1RXFP1
Lactic Acid SCHEMBL341018 0.79 TGFBR1 (0.43) TGFBR1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL1679408 0.77 TGFBR1 (0.32) TGFBR1
SCHEMBL8373364 0.77 TGFBR1 (0.40) TGFBR1ALDH1A1MEN1KMT2ARXFP1
Glycine SCHEMBL1564191 0.76 TGFBR1 (0.37) TGFBR1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL8379994 0.76 MCL1 (0.39) TGFBR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731148-B1 Bis(thio-hydrazide amide) compounds in combination with taxol for treating cancer SYNTA PHARMACEUTICALS CORP (US) 2011-11-16 EP claimed
US-20100068174-A1 COMBINATION WITH BIS (THIOHYDRAZIDE AMIDES) FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP. 2010-03-18 US claimed
EP-2061430-A2 BIS (THIOHYDRAZIDE AMIDES) FORMULATION Synta Pharmaceuticals Corporation (US) 2009-05-27 EP claimed
US-20080214655-A1 Paclitaxel enhancer compounds SYNTA PHARMACEUTICALS CORP. 2008-09-04 US claimed
WO-2008033300-A2 BIS (THIOHYDRAZIDE AMIDES) FORMULATION SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO claimed
EP-1406869-B1 TAXOL ENHANCER COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-09-13 EP claimed
US-20060116374-A1 substituted bis/thiohydrazide amide compound; synergistic effect with taxol or taxotere, anticancer agents, side effect reduction KOYA KEIZO 2006-06-01 US claimed
US-7037940-B2 Taxol enhancer compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-05-02 US claimed
US-7001923-B2 substituted bis/thiohydrazide amide compound; synergistic effect with taxol or taxotere, anticancer agents, side effect reduction SYNTA PHARMACEUTICALS CORP. (US) 2006-02-21 US claimed
EP-1414792-A1 FLUORO LINKERS AND THEIR USE AS LINKERS FOR ENZYME-ACTIVATED DRUG CONJUGATES Pharmacia Italia S.p.A. (IT) 2004-05-06 EP claimed
WO-2002007770-A2 POLYMERIC CONJUGATES OF ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-01-31 WO claimed
US-6328953-B1 AS ANTITUMOR AGENT AND REDUCED TOXICITY PHARMACIA & UPJOHN S.P.A. (IT) 2001-12-11 US claimed
EP-1019090-A1 POLYMERIC DERIVATIVES OF CAMPTOTHECINS PHARMACIA & UPJOHN S.p.A. (IT) 2000-07-19 EP claimed
EP-0944400-A1 BIOACTIVE DERIVATIVES OF CAMPTOTHECIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-09-29 EP claimed
WO-1999017805-A1 BIOACTIVE DERIVATIVES OF CAMPTOTHECIN PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-15 WO claimed
WO-1999017804-A1 POLYMERIC DERIVATIVES OF CAMPTOTHECINS PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-15 WO claimed
US-5773522-A PRODRUGS FOR TREATMENT OF TUMORS PHARMACIA S.P.A. (IT) 1998-06-30 US claimed
US-5719265-A ANTITUMOR AGENTS WITH IMPROVED WATER SOLUBILITY AND REDUCED TOXICITY PHARMACIA & UPJOHN S.P.A. (IT) 1998-02-17 US claimed
EP-0673258-A1 POLYMER-BOUND CAMPTOTHECIN DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1995-09-27 EP claimed
WO-1995010304-A1 POLYMER-BOUND CAMPTOTHECIN DERIVATIVES PHARMACIA S.P.A (IT) 1995-04-20 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 (3 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-20100068174-A1 COMBINATION WITH BIS (THIOHYDRAZIDE AMIDES) FOR TREATING CANCER TP53, PDCD1, CD274 TGFBR1 1438/4885ALDH1A1 188/4885LIPG 3856/4885
US-20080214655-A1 Paclitaxel enhancer compounds ABCC8, FOXM1, C9 TGFBR1 1110/4885ALDH1A1 1781/4885LIPG 2628/4885
US-20060116374-A1 substituted bis/thiohydrazide amide compound; synergistic effect with taxol or taxotere, anticancer agents, side effect reduction TUBB8, TUBB, TUBA8 TGFBR1 140/4885ALDH1A1 1811/4885LIPG 4696/4885

“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.