SCHEMBL444608

SCHEMBL444608

C=CCC(CC=C)(C(=O)O)c1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 2/20 0.39
NFE2L2 Q16236 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL15242496 0.76 MAPT (0.45) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL2718019 0.76 ALDH1A1 (0.62) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL10366355 0.75 ALDH1A1 (0.60) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL444609 0.74 KMT2A (0.43) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL7769347 0.73 ALDH1A1 (1.00) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL9264428 0.72 POLB (0.48) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL28764779 0.72 ALDH1A1 (0.42) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL29190212 0.72 CYP3A4 (0.44) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL17102000 0.72 KMT2A (0.49) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL8020617 0.72 ALDH1A1 (0.55) ALDH1A1TSHRHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957016-B2 Tumor activated prodrugs GENSPERA, INC. 2015-02-17 US disclosed
US-8822406-B2 Tumor activated prodrugs GENSPERA, INC. (US) 2014-09-02 US disclosed
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-20120270768-A1 Tumor Activated Prodrugs INSPYR THERAPEUTICS, INC. 2012-10-25 US disclosed
US-20120270767-A1 Tumor Activated Prodrugs INSPYR THERAPEUTICS, INC. 2012-10-25 US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 US disclosed
EP-2408465-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER The Johns Hopkins University (US) 2012-01-25 EP disclosed
WO-2010107909-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-23 WO disclosed
US-7767648-B2 Tissue specific prodrugs GENSPERA, INC. (US) 2010-08-03 US disclosed
US-20100120697-A1 Tumor Activated Prodrugs GENSPERA, INC. 2010-05-13 US disclosed
WO-2007081516-A2 TUMOR ACTIVATED PRODRUGS GENSPERA, INC. (US) 2007-07-19 WO disclosed
US-20070160536-A1 prodrug comprising 8-O-(12[L-leucinoylamino]dodecanoyl)-8-O-debutanoylthapsigargin (L12ADT); and a peptide of sequence Ser-Ser-Lys-Tyr-Gln; peptide is linked to the L12ADT to inhibit the therapeutic activity of the drug; anticarcinogenic agent; benign prostate hyperplasia; prostate and breast cancer INSPYR THERAPEUTICS, INC. 2007-07-12 US disclosed
US-20040029778-A1 Tissue specific prodrugs INSPYR THERAPEUTICS, INC. 2004-02-12 US disclosed
US-6545131-B1 Splitting drug with prostate specific antigen; activation of drug; antiproliferative agents THE JOHNS HOPKINS UNIVERSITY 2003-04-08 US disclosed
US-6504014-B1 Tissue specific prodrug THE JOHN HOPKINS UNIVERSITY 2003-01-07 US disclosed
US-6410514-B1 MIXTURE OF THERAPEUTICALLY ACTIVE DRUG AND PEPTIDE THE JOHNS HOPKINS UNIVERSITY 2002-06-25 US disclosed
WO-2002043773-A2 TISSUE SPECIFIC PRODRUGS THE JOHNS HOPKINS UNIVERSITY (US) 2002-06-06 WO disclosed
WO-2001093861-A1 TISSUE SPECIFIC PRODRUG THE JOHN HOPKINS UNIVERSITY (US) 2001-12-13 WO disclosed
US-6265540-B1 PEPTIDE HAVING SPECIFIC AMINO ACID SEQUENCE WHICH IS CLEAVAGE SITE FOR PROSTATE SPECIFIC ANTIGEN PROTEOLYTIC ACTIVITY; ANTIPROLIFERATIVE AGENTS THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE 2001-07-24 US disclosed
WO-1998052966-A1 TISSUE SPECIFIC PRODRUG THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDECINE (US) 1998-11-26 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 ALDH1A1 1673/4885TSHR 4530/4885HTT 2301/4885
US-20120270768-A1 Tumor Activated Prodrugs PREP, DNPEP, THOP1 ALDH1A1 1699/4885TSHR 1678/4885HTT 3415/4885
US-20070160536-A1 prodrug comprising 8-O-(12[L-leucinoylamino]dodecanoyl)-8-O-debutanoylthapsigargin (L12ADT); and a peptide of sequence Ser-Ser-Lys-Tyr-Gln; peptide is linked to the L12ADT to inhibit the therapeutic activity of the drug; anticarcinogenic agent; benign prostate hyperplasia; prostate and breast cancer PEPD, BPHL, PTMS ALDH1A1 1255/4885TSHR 1982/4885HTT 1937/4885
US-20100120697-A1 Tumor Activated Prodrugs DNPEP, PREP, PEPD ALDH1A1 2136/4885TSHR 3537/4885HTT 3845/4885
US-20120270767-A1 Tumor Activated Prodrugs DNPEP, PREP, PEPD ALDH1A1 2136/4885TSHR 3537/4885HTT 3845/4885

“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.