SCHEMBL3223416

SCHEMBL3223416

COc1ccc(C(OC(=O)NC(C)(C)C)C(=O)N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TXNRD1 Q16881 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
UTS2R Q9UKP6 1/20 0.37
KLK7 P49862 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRB3 P13945 1/20 0.37
TSPO P30536 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL3223411 1.00 NPSR1 (0.43) NPSR1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL3217995 0.85 TXNRD1 (0.39) TXNRD1KMT2AMEN1ADRB3LMNA
SCHEMBL29199783 0.75 NPSR1 (0.46) NPSR1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL27571172 0.75 NPSR1 (0.46) NPSR1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL3224055 0.73 LMNA (0.39) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL3224060 0.73 LMNA (0.39) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL13900227 0.71 SMN1; SMN2 (0.54) NPSR1RAB9ANPC1CYP1A2CYP2D6
SCHEMBL3223424 0.70 CTSS (0.47) NPSR1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL27652976 0.70 HPGD (0.47) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL17424357 0.69 MTNR1A (0.40) KMT2AMEN1UTS2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO 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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP NPSR1 3132/4885RAB9A 1106/4885NPC1 170/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP NPSR1 3132/4885RAB9A 1106/4885NPC1 170/4885

“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.