SCHEMBL21458064

SCHEMBL21458064

CC(C)(C)OC(=O)N1CCC(F)(C#CBr)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B2 P19099 1/20 0.40
RORC P51449 3/20 0.38
USP30 Q70CQ3 3/20 0.37
SCD5 Q86SK9 1/20 0.36
HDAC2 Q92769 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
ACACB O00763 2/20 0.35
GPR183 P32249 1/20 0.35

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
SCHEMBL19615467 0.91 USP2 (0.46) USP2SMN1; SMN2CYP11B2HPGDEPHX2
SCHEMBL18588149 0.89 USP2 (0.40) USP2SMN1; SMN2CYP11B2RORCHPGD
SCHEMBL19615485 0.82 USP2 (0.41) USP2SMN1; SMN2CYP11B2RORCUSP30
SCHEMBL21458082 0.82 USP2 (0.41) USP2SMN1; SMN2CYP11B2RORCUSP30
SCHEMBL22983614 0.82 USP2 (0.42) USP2SMN1; SMN2CYP11B2RORCUSP30
SCHEMBL2378427 0.82 USP2 (0.42) USP2SMN1; SMN2CYP11B2RORCUSP30
SCHEMBL18587326 0.79 USP2 (0.46) USP2SMN1; SMN2HPGDEPHX2
SCHEMBL475749 0.78 USP2 (0.47) USP2SMN1; SMN2CYP11B2RORCUSP30
SCHEMBL30254327 0.76 USP2 (0.46) USP2SMN1; SMN2CYP11B2RORCUSP30
SCHEMBL12445300 0.76 USP2 (0.46) USP2SMN1; SMN2CYP11B2RORCUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 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 (1 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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 USP2 4835/4885SMN1; SMN2 2962/4885CYP11B2 2442/4885

“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.