SCHEMBL3218159

SCHEMBL3218159

CCC[C@H](NC(=O)O)C(O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.41
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL4736420 1.00 ADAM17 (0.41) ADAM17TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL14401972 0.86 ADAM17 (0.42) ADAM17TSHRCYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3214225 0.85 ADAM17 (0.41) ADAM17TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL13688913 0.83 ADAM17 (0.41) ADAM17TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL12650712 0.82 CTSK (0.44) ADAM17CTSK
SCHEMBL3222168 0.80 GPR88 (0.40) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4785164 0.80 GPR88 (0.40) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3221057 0.79 GPR88 (0.45) OPRM1OPRD1GPR88MEN1KMT2A
SCHEMBL4781054 0.79 GPR88 (0.45) OPRM1OPRD1GPR88MEN1KMT2A
SCHEMBL13686211 0.76 TSHR (0.40) ADAM17TSHRCYP3A4CYP2D6CYP2C9

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
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

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 ADAM17 49/4885TSHR 4643/4885CYP3A4 265/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP ADAM17 49/4885TSHR 4643/4885CYP3A4 265/4885

“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.