SCHEMBL18501413

SCHEMBL18501413

C[C@@H]1CC[C@H](C(=O)OCC(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MDM2 Q00987 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL17212625 1.00 NPC1 (0.50) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL4575816 0.87 NPC1 (0.58) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL17212614 0.84 ALDH1A1 (0.51) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL15395895 0.82 NPC1 (0.46) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL15746272 0.81 ALDH1A1 (0.64) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL16577428 0.81 KMT2A (0.45) KMT2AMAPTHPGDALDH1A1TSHR
SCHEMBL17212624 0.80 ALDH1A1 (0.63) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL18501438 0.80 MAPT (0.51) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL20443604 0.79 NPC1 (0.56) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL11911086 0.78 RAB9A (0.43) NPC1RAB9AKMT2AMAPTHPGD

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-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
US-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-16 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-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SLC10A1, CYP7A1, CYP3A43 NPC1 66/4885RAB9A 1522/4885KMT2A 4338/4885

“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.