SCHEMBL19397752

SCHEMBL19397752

CC(C)N[C@@H](C)[C@H](c1ccc(C(=O)OC(C)C)cc1)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.52
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL19397772 0.88 KAT2B (0.50) KAT2BCA12CA1CA2CA7
SCHEMBL19402529 0.88 KAT2B (0.54) KAT2BCA12CA1CA2CA7
SCHEMBL17571725 0.83 CA12 (0.56) KAT2BCA12CA1CA2CA7
SCHEMBL19397740 0.82 KAT2B (0.48) KAT2BNPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19397705 0.81 CA12 (0.53) KAT2BCA12CA1CA2CA7
SCHEMBL19402504 0.79 KAT2B (0.50) KAT2BCA2HTTSMN1; SMN2KMT2A
SCHEMBL19397751 0.78 KAT2B (0.58) KAT2BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19402461 0.76 KAT2B (0.52) KAT2BCA12CA1CA2CA7
SCHEMBL19397763 0.75 KAT2B (0.56) KAT2BALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL19397677 0.75 KAT2B (0.56) KAT2BALDH1A1HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 KAT2B 41/4885CA12 3822/4885CA1 3721/4885

“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.