SCHEMBL1683670

SCHEMBL1683670

S=C(c1ccccc1)C1CSC(c2ccccc2)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ MAPT P10636 4/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.48
▸ S1PR3 Q99500 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ PKM P14618 1/20 0.36

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
SCHEMBL1683611 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL1683636 0.80 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL2034755 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL2029800 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL31714043 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL2034753 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL3059385 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL5490059 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL5526027 0.78 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10KDM4ES1PR3
SCHEMBL1683870 0.75 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10KDM4ES1PR3

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 12 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
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
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 — — EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 — — WO 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 606/4885MAPT 4836/4885HSD17B10 970/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885MAPT 4391/4885HSD17B10 148/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885MAPT 4391/4885HSD17B10 148/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885MAPT 4391/4885HSD17B10 148/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885MAPT 4391/4885HSD17B10 148/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885MAPT 4391/4885HSD17B10 148/4885

“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.

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