SCHEMBL9004530

SCHEMBL9004530

CC(C)(C)Cn1sc2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.67
FAAH O00519 2/20 0.56
MGLL Q99685 2/20 0.56
G6PD P11413 1/20 0.53
PMM2 O15305 1/20 0.53
MPI P34949 1/20 0.53
PHOSPHO1 Q8TCT1 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
SCHEMBL20987705 0.87 CASP3 (0.63) CASP3FAAHMGLLG6PDPMM2
SCHEMBL29678965 0.80 CASP3 (1.00) CASP3FAAHMGLLG6PD
SCHEMBL3143600 0.80 CASP3 (1.00) CASP3FAAHMGLLG6PD
SCHEMBL11278746 0.80 CASP3 (0.74) CASP3FAAHMGLLG6PD
SCHEMBL17948304 0.80 CASP3 (0.72) CASP3FAAHMGLL
SCHEMBL20937506 0.78 CASP3 (0.59) CASP3G6PD
SCHEMBL358740 0.77 FAAH (0.77) CASP3FAAHMGLLG6PD
SCHEMBL24836231 0.77 FAAH (0.81) CASP3FAAHMGLLG6PD
SCHEMBL2963555 0.77 CASP3 (0.68) CASP3FAAHMGLLG6PD
SCHEMBL24836229 0.77 FAAH (0.76) CASP3FAAHMGLLG6PD

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 149 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-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-11541044-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-03 US disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
EP-0018100-B1 SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-18 EP disclosed
EP-0018100-A2 Substituted aromatic biologically active compound, a process for its preparation and its use as biocide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-29 EP 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 CASP3 478/4885FAAH 1433/4885MGLL 616/4885
US-11541044-B2 K-Ras modulators KRAS, HRAS, NRAS CASP3 2779/4885FAAH 3107/4885MGLL 3410/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CASP3 919/4885FAAH 3508/4885MGLL 2601/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 CASP3 1825/4885FAAH 3687/4885MGLL 2774/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 CASP3 409/4885FAAH 957/4885MGLL 2503/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CASP3 478/4885FAAH 1433/4885MGLL 616/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CASP3 919/4885FAAH 3508/4885MGLL 2601/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CASP3 1080/4885FAAH 2501/4885MGLL 1913/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CASP3 891/4885FAAH 706/4885MGLL 192/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK CASP3 2516/4885FAAH 3685/4885MGLL 3812/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS CASP3 2988/4885FAAH 4099/4885MGLL 3593/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CASP3 478/4885FAAH 1433/4885MGLL 616/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CASP3 478/4885FAAH 1433/4885MGLL 616/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CASP3 919/4885FAAH 3508/4885MGLL 2601/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CASP3 891/4885FAAH 706/4885MGLL 192/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CASP3 891/4885FAAH 706/4885MGLL 192/4885

“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.