SCHEMBL3202235

SCHEMBL3202235

CC(C)C(CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ELANE P08246 2/20 0.55
CASP1 P29466 6/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
CASP3 P42574 1/20 0.54
CTSK P43235 3/20 0.53
CTRB1 P17538 2/20 0.52
PRTN3 P24158 1/20 0.52
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
CTSB P07858 1/20 0.51

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
SCHEMBL19859590 1.00 ATM (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL9749127 1.00 ATM (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL15395673 0.90 ATM (0.54) ATMELANETRPM8CTSKCTRB1
SCHEMBL31264459 0.90 CTSL (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL13202029 0.90 CTSL (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL9937089 0.89 TRPM8 (0.55) ATMELANECASP1TRPM8CTSK
SCHEMBL9937088 0.89 TRPM8 (0.55) ATMELANECASP1TRPM8CTSK
SCHEMBL9831451 0.89 CTSK (0.46) ATMELANECASP1TRPM8CASP3
SCHEMBL6044628 0.89 PSMB1 (0.58) ATMELANETRPM8CTSKCTRB1
SCHEMBL6044396 0.89 PSMB1 (0.58) ATMELANETRPM8CTSKCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497098-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2019-06-19 EP disclosed
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 US disclosed
WO-2018031877-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2018-02-15 WO disclosed
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 US disclosed
WO-2008106080-A9 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 WO disclosed
WO-2008106080-A2 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-09-04 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 (2 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 ATM 1810/4885ELANE 96/4885CASP1 679/4885
US-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF XDH, XPA, TPX2 ATM 2814/4885ELANE 2629/4885CASP1 2730/4885

“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.