SCHEMBL15906757

SCHEMBL15906757

CC(C)(C)C(=O)NC1(C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.42
CTSC P53634 2/20 0.40
CTSS P25774 9/20 0.38
CTSK P43235 8/20 0.38
CTSB P07858 6/20 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
SCHEMBL26880884 0.92 CTSL (0.38) CTSLCTSCCTSSCTSKCTSB
SCHEMBL26139097 0.82 CTSL (0.38) CTSLCTSCCTSSCTSKCTSB
SCHEMBL22826896 0.81 CTSL (0.42) CTSLCTSCCTSSCTSKCTSB
SCHEMBL2106914 0.79 CTSC (0.42) CTSLCTSCCTSSCTSKCTSB
SCHEMBL19169463 0.78 CTSL (0.40) CTSLCTSCCTSSCTSKCTSB
SCHEMBL17447542 0.78 CTSS (0.41) CTSLCTSCCTSSCTSKCTSB
SCHEMBL11256614 0.76 CTSL (0.38) CTSLCTSCCTSSCTSKCTSB
SCHEMBL17447512 0.76 CTSL (0.39) CTSLCTSCCTSSCTSKCTSB
SCHEMBL13435738 0.76
SCHEMBL2394821 0.75 CTSL (0.59) CTSLCTSCCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-01-05 US disclosed
US-11541044-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-03 US disclosed
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 US disclosed
US-10857140-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-08 US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 US disclosed
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-31 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 (16 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-11541044-B2 K-Ras modulators KRAS, HRAS, NRAS CTSL 2579/4885CTSC 2239/4885CTSS 985/4885
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 CTSL 2731/4885CTSC 2885/4885CTSS 1024/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-10857140-B2 K-Ras modulators KRAS, HRAS, NRAS CTSL 3326/4885CTSC 2934/4885CTSS 1537/4885
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS AR, LHCGR, FSHR CTSL 3973/4885CTSC 1495/4885CTSS 3806/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF EZH2, BMI1, EZH1 CTSL 4858/4885CTSC 3073/4885CTSS 4568/4885
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 CTSL 2477/4885CTSC 1002/4885CTSS 1878/4885
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, TP53, MCL1 CTSL 65/4885CTSC 224/4885CTSS 45/4885
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CTSL 3473/4885CTSC 3314/4885CTSS 559/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 CTSL 217/4885CTSC 843/4885CTSS 166/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 CTSL 3071/4885CTSC 1540/4885CTSS 2959/4885

“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.