SCHEMBL2690145

SCHEMBL2690145

COC(=O)CSCC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
TSHR P16473 5/20 0.43
HSD17B10 Q99714 5/20 0.40
CES2 O00748 1/20 0.40
ALDH1A1 P00352 8/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.37
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 2/20 0.34
KDM1A O60341 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL11056301 0.89 TSHR (0.53) MGAMGAASIMGAM2TSHR
SCHEMBL30888816 0.87 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL17853913 0.82 CES2 (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL1006516 0.81
SCHEMBL19730844 0.80 CYP2D6 (0.60) MGAMGAASIMGAM2TSHR
SCHEMBL8892963 0.80 TSHR (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL9589394 0.79 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL10918181 0.79 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL9517329 0.79 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL10788950 0.79 TSHR (0.48) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed
EP-4430036-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2024-09-18 EP disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
EP-3454657-B1 DIHYDROISOXAZOLE COMPOUND FOR USE IN CONTROLLING SEA LICE ELANCO TIERGESUNDHEIT AG (CH) 2020-05-13 EP disclosed
US-10537549-B2 Dihydroisoxazole compound for use in controlling sea lice ELANCO TIERGESUNDHEIT AG (CH) 2020-01-21 US disclosed
US-10537549-B2 Dihydroisoxazole compound for use in controlling sea lice ELANCO TIERGESUNDHEIT AG (CH) 2020-01-21 US disclosed
US-20190142795-A1 DIHYDROISOXAZOLE COMPOUND FOR USE IN CONTROLLING SEA LICE INTERVET INC. 2019-05-16 US disclosed
US-20190142795-A1 DIHYDROISOXAZOLE COMPOUND FOR USE IN CONTROLLING SEA LICE INTERVET INC. 2019-05-16 US disclosed
EP-3454657-A1 DIHYDROISOXAZOLE COMPOUND FOR USE IN CONTROLLING SEA LICE Elanco Tiergesundheit AG (CH) 2019-03-20 EP disclosed
WO-2012155352-A1 DIHYDROISOXAZOLE COMPOUNDS, PARASITICIDAL USES AND FORMULATIONS THEREOF ELI LILLY AND COMPANY (US) 2012-11-22 WO disclosed
WO-2012155352-A1 DIHYDROISOXAZOLE COMPOUNDS, PARASITICIDAL USES AND FORMULATIONS THEREOF ELI LILLY AND COMPANY (US) 2012-11-22 WO disclosed
WO-2012155676-A1 PARASITICIDAL COMPOUNDS, METHODS, AND FORMULATIONS ELI LILLY AND COMPANY (US) 2012-11-22 WO disclosed
WO-2012155676-A1 PARASITICIDAL COMPOUNDS, METHODS, AND FORMULATIONS ELI LILLY AND COMPANY (US) 2012-11-22 WO disclosed
WO-2012158396-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2012-11-22 WO disclosed
US-20120196902-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2012-08-02 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (4 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-20120196902-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 MGAM 2310/4885GAA 3138/4885SI 4246/4885
US-10537549-B2 Dihydroisoxazole compound for use in controlling sea lice SQLE, SLC9A5, RDX MGAM 1817/4885GAA 1021/4885SI 448/4885
US-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 MGAM 4398/4885GAA 980/4885SI 3196/4885
US-20190142795-A1 DIHYDROISOXAZOLE COMPOUND FOR USE IN CONTROLLING SEA LICE SQLE, SLC9A5, RDX MGAM 1817/4885GAA 1021/4885SI 448/4885

“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.