SCHEMBL6979809

SCHEMBL6979809

C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR2 O43614 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL12534240 1.00 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL25251925 1.00 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL15311113 1.00 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL17212829 1.00 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL12713986 0.87 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2BRD4
SCHEMBL28460541 0.87 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2BRD4
SCHEMBL25054628 0.83 SPHK1 (0.34) SPHK1BRD4
SCHEMBL25054605 0.83 SPHK1 (0.34) SPHK1BRD4
SCHEMBL1614640 0.81 SPHK1 (0.31) SPHK1HCRTR2
SCHEMBL1614637 0.81 SPHK1 (0.31) SPHK1HCRTR2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220546-A2 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES AND METHODS OF USE AND SYNTHETIC PROCESSES AND INTERMEDIATES PEAK BIO, INC. (US) 2024-10-24 WO disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
US-11691982-B2 Thailanstatin analogs PH PHARMA CO., LTD. (KR) 2023-07-04 US disclosed
US-11584754-B2 Derivatives of thailanstatin A, methods of treatment and methods of synthesis thereof WILLIAM MARSH RICE UNIVERSITY (US) 2023-02-21 US disclosed
US-9771377-B2 Synthesis of FR901464 and analogs with antitumor activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-09-26 US disclosed
US-20150307512-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-10-29 US disclosed
WO-2014100367-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-26 WO disclosed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (3 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-11691982-B2 Thailanstatin analogs CD47, SUGT1, TPT1 SPHK1 3282/4885USP2 4768/4885SMN1; SMN2 2250/4885
US-11584754-B2 Derivatives of thailanstatin A, methods of treatment and methods of synthesis thereof NAMPT, FNTA, GNPAT SPHK1 1299/4885USP2 4706/4885SMN1; SMN2 2181/4885
US-20150307512-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB SPHK1 1268/4885USP2 3739/4885SMN1; SMN2 425/4885

“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.