SCHEMBL1683770

SCHEMBL1683770

COc1cc(C(=S)C2COC(c3ccccc3)N2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TUBB4A P04350 3/20 0.40
▸ TUBB P07437 3/20 0.40
▸ TUBA3C P0DPH7 3/20 0.40
▸ TUBA1B P68363 3/20 0.40
▸ TUBA4A P68366 3/20 0.40
▸ TUBB4B P68371 3/20 0.40
▸ TUBB3 Q13509 3/20 0.40
▸ TUBB2A Q13885 3/20 0.40
▸ TUBB8 Q3ZCM7 3/20 0.40
▸ TUBA3E Q6PEY2 3/20 0.40
▸ TUBA1A Q71U36 3/20 0.40
▸ TUBA1C Q9BQE3 3/20 0.40
▸ TUBB6 Q9BUF5 3/20 0.40
▸ TUBB2B Q9BVA1 3/20 0.40
▸ TUBB1 Q9H4B7 3/20 0.40
▸ ALDH1A1 P00352 7/20 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
SCHEMBL1683813 0.86 ALDH1A1 (0.44) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL1683931 0.84 ACHE (0.39) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL1683785 0.84 ACHE (0.39) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL1683779 0.84 ACHE (0.39) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL4416053 0.83 ACHE (0.39) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL1683845 0.83 ACHE (0.39) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL1683848 0.83 ACHE (0.39) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL1683808 0.81 ACHE (0.37) ACHEPTPN1KDM4ETDP1TUBB4A
SCHEMBL3478245 0.80 TSHR (0.37) ALDH1A1MEN1KMT2ACYP2C19TSHR
SCHEMBL4423902 0.79 ALDH1A1 (0.41) ACHEPTPN1KDM4ETDP1TUBB4A

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 ACHE 2533/4885PTPN1 2980/4885KDM4E 1473/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885KDM4E 260/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885KDM4E 260/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885KDM4E 260/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885KDM4E 260/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885KDM4E 260/4885

“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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