SCHEMBL159105

SCHEMBL159105

CC(C)(C)OC(=O)N1CCCC1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.66
FKBP1A P62942 11/20 0.65
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PREP P48147 3/20 0.54
KLK5 Q9Y337 1/20 0.53

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
SCHEMBL159104 1.00 KLK7 (0.66) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL5970730 1.00 KLK7 (0.66) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL16531226 0.96 FKBP1A (0.70) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL221644 0.96 FKBP1A (0.70) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL13257218 0.96 FKBP1A (0.70) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL9609458 0.96 KLK7 (0.61) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL9610764 0.96 KLK7 (0.61) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL7307432 0.96 KLK7 (0.61) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL6925800 0.94 FKBP1A (0.64) KLK7FKBP1AMEN1KMT2APREP
SCHEMBL29447560 0.93 FKBP1A (0.58) KLK7FKBP1AMEN1KMT2APREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117180290-A Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2023-12-08 CN disclosed
CN-117186134-A Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2023-12-08 CN disclosed
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
CN-111712302-B Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2023-09-19 CN disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 EP disclosed
WO-2022111499-A1 AMIDE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 深圳铂立健医药有限公司 2022-06-02 WO disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed
CN-112584900-A Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-03-30 CN disclosed
WO-2019159120-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2019-08-22 WO disclosed
EP-3340981-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012169785-A9 SYMMETRICALLY STRUCTURED QUINAZOLINE DERIVATIVES HANMI SCIENCE CO., LTD. (KR) 2013-05-23 WO disclosed
WO-2012169785-A2 SYMMETRICALLY STRUCTURED QUINAZOLINE DERIVATIVES HANMI SCIENCE CO., LTD. (KR) 2012-12-13 WO disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO disclosed
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 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 (2 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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX KLK7 1633/4885FKBP1A 1214/4885MEN1 1614/4885
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME RCOR3, RCN1, HRH4 KLK7 2213/4885FKBP1A 1811/4885MEN1 2367/4885

“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.