SCHEMBL12604254

SCHEMBL12604254

COC(=O)C1CN1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
ANPEP P15144 3/20 0.42
ALDH1A1 P00352 1/20 0.38
FKBP1A P62942 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL18065005 0.83 ALDH1A1 (0.47) MMP2ANPEPALDH1A1ATMCYP3A4
SCHEMBL13008562 0.83 ALDH1A1 (0.47) MMP2ANPEPALDH1A1ATMCYP3A4
SCHEMBL22541603 0.81 PEPD (0.43) MMP2ANPEPALDH1A1CYP3A4MAPT
SCHEMBL15961007 0.81 MMP2 (0.39) MMP2ANPEPALDH1A1CYP3A4MAPT
SCHEMBL2771671 0.79 SMN1; SMN2 (0.42) MMP2ANPEPALDH1A1FKBP1ASMN1; SMN2
SCHEMBL15448202 0.79 MMP2 (0.41) MMP2ANPEPALDH1A1FKBP1ASMN1; SMN2
SCHEMBL25530199 0.77 HRH3 (0.38) MMP2ANPEPFKBP1ASMN1; SMN2
SCHEMBL25530203 0.77 HRH3 (0.38) MMP2ANPEPFKBP1ASMN1; SMN2
SCHEMBL25561243 0.77 FKBP1A (0.33) MMP2ANPEPFKBP1ASMN1; SMN2
SCHEMBL25530201 0.77 HRH3 (0.38) MMP2ANPEPFKBP1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943787-B2 Preparation of pentafluorosulfanyl (SF5) heterocycles: pyrroles and thiophenes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-17 US disclosed
US-7943787-B2 Preparation of pentafluorosulfanyl (SF5) heterocycles: pyrroles and thiophenes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-17 US disclosed
US-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-17 US disclosed
US-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-17 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-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES SF3B5, SFXN3, CXCR5 MMP2 4870/4885ANPEP 3120/4885ALDH1A1 3342/4885

“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.