SCHEMBL12389688

SCHEMBL12389688

CC(C)(C)C1NC(=O)NC1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL13515282 0.84
SCHEMBL15999201 0.84 TDP1 (0.32) TSHR
SCHEMBL1106090 0.78
SCHEMBL6990447 0.67 IDUA (0.35)
SCHEMBL4055309 0.67 IDUA (0.35)
SCHEMBL22928100 0.66
SCHEMBL22928095 0.66
SCHEMBL12389694 0.66
SCHEMBL24109471 0.64 BRD4 (0.33)
SCHEMBL10110533 0.64 CYP2D6 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380539-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-12-09 US disclosed
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 US disclosed
US-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-10-01 US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 US disclosed
US-7994346-B2 such as methyl 2-({(4S,5R)-5-[(1E,3E,7E)-(S)-10-(4-fluorophenoxy)-9-hydroxydeca-1,3,7-trien-5-yn-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}methoxy)acetate, useful in treating inflammatory and autoimmune disorders in humans BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-09 US disclosed
US-7928255-B2 Intermediates for the preparation of lipoxin A4 analogs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-19 US disclosed
US-20080119439-A1 Treatment and prevention of intestinal fibrosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-22 US disclosed
US-7223798-B2 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-29 US disclosed
US-20070105949-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-10 US disclosed
US-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (7 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-20210380539-A1 PARG INHIBITORY COMPOUNDS PARP11, PARG, PARP16 TSHR 3748/4885
US-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs LTB4R, LTB4R2, LTA4H TSHR 569/4885
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 TSHR 45/4885
US-20080119439-A1 Treatment and prevention of intestinal fibrosis LTA4H, FABP2, LTB4R TSHR 3959/4885
US-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof KRAS, NRAS, HRAS TSHR 2197/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS TSHR 2197/4885
US-20070105949-A1 Intermediates for the preparation of lipoxin A4 analogs LTB4R, LTB4R2, LTC4S TSHR 671/4885

“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.