SCHEMBL14477481

SCHEMBL14477481

CC(C)(C)OC(=O)Nc1nc(Cl)c2ncn(CC(=O)OCc3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.42
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER1 P34995 1/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX7 Q99572 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
YTHDC1 Q96MU7 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
SCHEMBL12072489 0.87 RAB9A (0.39) RAB9ANPC1ALDH1A1TSHRHPGD
SCHEMBL14309812 0.85 TSHR (0.43) RAB9ANPC1TP53ALDH1A1TSHR
SCHEMBL7843904 0.84 SCD (0.43) RAB9ANPC1P2RX7SMN1; SMN2YTHDC1
SCHEMBL12324924 0.83 LMNA (0.38) CCNE2CCNE1CDK2P2RX7
SCHEMBL14477480 0.79 HDAC6 (0.51) RAB9ANPC1TP53ALDH1A1TSHR
SCHEMBL1006887 0.77 HDAC1 (0.45) RAB9ANPC1TP53TSHRHTT
SCHEMBL16206264 0.77 HDAC1 (0.48) CCNE2CCNE1CDK2MAPK1
SCHEMBL3823809 0.76 RAB9A (0.43) RAB9ANPC1TP53ALDH1A1TSHR
SCHEMBL15198018 0.74 ACHE (0.40) CCNE2CCNE1CDK2CYP2C9PTGER1
SCHEMBL16488216 0.74 HDAC1 (0.42) RAB9ANPC1TP53ALDH1A1TSHR

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
EP-2546235-B1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS NIPPON SODA CO (JP) 2019-05-22 EP disclosed
US-8653269-B2 Process for preparation of t-butoxycarbonylamine compounds NIPPON SODA CO., LTD. (JP) 2014-02-18 US disclosed
US-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS NIPPON SODA CO., LTD. (JP) 2013-01-03 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-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS BPGM, TST, BET1 RAB9A 3206/4885NPC1 2994/4885TP53 1189/4885

“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.