SCHEMBL579105

SCHEMBL579105

Cc1ccc(S(=O)(=O)OC(CF)CF)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
VDR P11473 1/20 0.40
TLR9 Q9NR96 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
G6PD P11413 2/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL14779305 0.85 GAA (0.43) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL4121027 0.84 GAA (0.42) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL8345094 0.83 GAA (0.45) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL13160700 0.81 GAA (0.43) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL7806253 0.81 GAA (0.43) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL9508775 0.81 AGER (0.41) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL890642 0.80 GAA (0.50) AGERGAAALDH1A1CYP3A4CYP2C9
SCHEMBL22805528 0.80 VDR (0.51) ALDH1A1CA1CA2CA12CA9
SCHEMBL14572925 0.80 VDR (0.51) ALDH1A1CA1CA2CA12CA9
SCHEMBL14780279 0.80 CA12 (0.50) AGERGAAALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
CN-110678467-B Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2023-06-13 CN disclosed
CN-110267957-B Quinazoline compounds 安斯泰来制药株式会社 2022-04-26 CN disclosed
US-20220024945-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-01-27 US disclosed
US-10774082-B2 Quinazoline compound ASTELLAS PHARMA INC. (JP) 2020-09-15 US disclosed
US-20200140437-A1 QUINAZOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2020-05-07 US disclosed
US-20200062779-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-02-27 US disclosed
US-10556906-B2 Quinazoline compound ASTELLAS PHARMA INC. (JP) 2020-02-11 US disclosed
CN-110678467-A Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2020-01-10 CN disclosed
US-20180334465-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-11-22 US disclosed
US-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2015-03-12 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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 (8 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-20200140437-A1 QUINAZOLINE COMPOUND KRAS, NRAS, HRAS AGER 3078/4885GAA 2037/4885ALDH1A1 3284/4885
US-10556906-B2 Quinazoline compound KRAS, NRAS, HRAS AGER 3078/4885GAA 2037/4885ALDH1A1 3284/4885
US-20220024945-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AGER 4435/4885GAA 714/4885ALDH1A1 2322/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS AGER 4491/4885GAA 2123/4885ALDH1A1 2672/4885
US-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS GPR55, GPR65, GPR35 AGER 181/4885GAA 1749/4885ALDH1A1 1032/4885
US-10774082-B2 Quinazoline compound KRAS, NRAS, HRAS AGER 3078/4885GAA 2037/4885ALDH1A1 3284/4885
US-20200062779-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AGER 4435/4885GAA 714/4885ALDH1A1 2322/4885
US-20180334465-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AGER 4435/4885GAA 714/4885ALDH1A1 2322/4885

“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.