SCHEMBL19861145

SCHEMBL19861145

CC(C)(C)CNCCCNC(=O)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.38
CA3 P07451 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 5/20 0.37
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC7 Q8WUI4 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC10 Q969S8 5/20 0.37
HDAC11 Q96DB2 5/20 0.37

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
SCHEMBL19861263 0.96 MEN1 (0.43) MEN1KMT2AHPGDCA3CA5A
SCHEMBL19861326 0.94 MEN1 (0.42) MEN1KMT2AHPGDCA3CA5A
SCHEMBL19861314 0.94 MEN1 (0.42) MEN1KMT2AHPGDCA3CA5A
SCHEMBL19861155 0.88 HPGD (0.40) MEN1KMT2AHPGDCA3CA5A
SCHEMBL15187051 0.85 MEN1 (0.59) MEN1KMT2ACA3CA5ACA5B
SCHEMBL23274169 0.83 PAOX (0.53) MEN1KMT2AHPGDCA3CA5A
SCHEMBL15187385 0.81 CASP2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL23518488 0.81 MEN1 (0.52) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL15187237 0.81 MEN1 (0.65) MEN1KMT2ACA3CA5ACA5B
SCHEMBL26504638 0.81 MEN1 (0.48) MEN1KMT2AHPGDCA3CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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 (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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 MEN1 523/4885KMT2A 4492/4885HPGD 3437/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 MEN1 786/4885KMT2A 4495/4885HPGD 3619/4885

“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.