SCHEMBL4423934

SCHEMBL4423934

COc1ccc(C(=O)c2csc(C3=CCCC=C3)n2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
EGFR P00533 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HDAC3 O15379 9/20 0.41
HDAC1 Q13547 9/20 0.41
HDAC7 Q8WUI4 9/20 0.41
HDAC8 Q9BY41 9/20 0.41
HDAC6 Q9UBN7 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1683954 0.88 EGFR (0.53) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683643 0.85 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDTLR7
SCHEMBL1683709 0.84 CNR2 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1683754 0.83 FGFR2 (0.38) ALDH1A1EGFRHDAC3HDAC1HDAC7
SCHEMBL4427216 0.81 CNR2 (0.47) ALDH1A1KDM4EHPGDTLR7SMN1; SMN2
SCHEMBL1683712 0.79 GAA (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1683634 0.78 TSHR (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1683620 0.77 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1683879 0.75 HPGD (0.38) ALDH1A1TSHRHPGDEGFRHDAC3
SCHEMBL1683796 0.74 EGFR (0.47) TSHRHPGDEGFRHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
EP-2303021-B1 COMPOUNDS FOR THE TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2018-12-19 EP disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY ALDH1A1 606/4885CYP1A2 133/4885CYP3A4 366/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885CYP1A2 38/4885CYP3A4 410/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885CYP1A2 38/4885CYP3A4 410/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885CYP1A2 38/4885CYP3A4 410/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885CYP1A2 38/4885CYP3A4 410/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885CYP1A2 38/4885CYP3A4 410/4885

“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.