SCHEMBL14477264

SCHEMBL14477264

O=C(N[C@@]1(C(=O)O)CCOC1)c1ccc(CI)s1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
PRSS1 P07477 8/20 0.34
TMPRSS15 P98073 8/20 0.34
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
TACR2 P21452 1/20 0.31
EPHX2 P34913 1/20 0.31
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL14477267 1.00 CTSL (0.34) CTSLCTSBCTSSPRSS1TMPRSS15
SCHEMBL14477387 0.82 HPGD (0.42) NPC1TP53HPGDTSHRRAB9A
SCHEMBL2569569 0.82 HTT (0.48) CTSLCTSBCTSSNPC1TP53
SCHEMBL2566642 0.82 HPGD (0.42) NPC1TP53HPGDTSHRRAB9A
SCHEMBL3774208 0.82 HPGD (0.42) NPC1TP53HPGDTSHRRAB9A
SCHEMBL13012380 0.69 KMT2A (0.42) NPC1TP53HPGDTSHRRAB9A
SCHEMBL13012386 0.69 KMT2A (0.42) NPC1TP53HPGDTSHRRAB9A
SCHEMBL3036022 0.68 F10 (0.36) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL13012349 0.68 F10 (0.36) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL2787462 0.67 VNN1 (0.40)

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-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 CTSL 1328/4885CTSB 3329/4885CTSS 1796/4885

“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.