SCHEMBL20134406

SCHEMBL20134406

COC(=O)C(C)CC(N)Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
NOS2 P35228 7/20 0.46
NOS3 P29474 4/20 0.46
NOS1 P29475 4/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 1/20 0.41
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL8283148 1.00 TSHR (0.48) TSHRCA12CA7CA9CA14
SCHEMBL15865986 0.87 ESR1 (0.41) MEN1KMT2AESR1ESR2
SCHEMBL8283121 0.87 L3MBTL1 (0.44) MEN1KMT2AHPGDESR1ESR2
SCHEMBL15159050 0.87 L3MBTL1 (0.44) MEN1KMT2AHPGDESR1ESR2
SCHEMBL8532710 0.85 SLC6A4 (0.54) HTT
SCHEMBL23551731 0.85 TSHR (0.50) TSHRCA12CA7CA9CA14
SCHEMBL1531741 0.85 ALDH1A1 (0.52) CA12CA7CA9CA14MEN1
SCHEMBL13386099 0.85 ALDH1A1 (0.52) CA12CA7CA9CA14MEN1
SCHEMBL29077049 0.85 ALDH1A1 (0.52) CA12CA7CA9CA14MEN1
SCHEMBL1531738 0.85 ALDH1A1 (0.52) CA12CA7CA9CA14MEN1

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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF REN, MAN2B2, UTS2R TSHR 2870/4885CA12 4430/4885CA7 3276/4885

“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.