SCHEMBL2115309

SCHEMBL2115309

Cc1cc(C(=O)O)ccc1-n1c(C)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 12/20 1.00
ALOX15 P16050 3/20 1.00
PTPN7 P35236 2/20 1.00
HSD17B10 Q99714 2/20 1.00
ESR1 P03372 1/20 1.00
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
APEX1 P27695 2/20 0.56
HPGD P15428 1/20 0.56
TP53 P04637 1/20 0.55
NR4A1 P22736 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
USP2 O75604 1/20 0.54
HSPA1A P0DMV8 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL17172448 0.85 MYC (0.74) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL15714763 0.84 MYC (1.00) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL15714754 0.81 MYC (0.68) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL13779278 0.80 MYC (1.00) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL15668582 0.80 MYC (1.00) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL4375887 0.79 MYC (0.65) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL2562958 0.78 ALDH1A1 (0.80) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL5785631 0.77 NR4A1 (0.63) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL24938792 0.75 MYC (0.60) MYCALOX15PTPN7HSD17B10ESR1
SCHEMBL30683883 0.75 GAA (0.64) MYCALOX15PTPN7HSD17B10ESR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 WO disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US 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 (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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM MYC 1076/4885ALOX15 1318/4885PTPN7 1828/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 MYC 1/4885ALOX15 1421/4885PTPN7 1676/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM MYC 1076/4885ALOX15 1318/4885PTPN7 1828/4885

“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.