SCHEMBL3429413

SCHEMBL3429413

CC(C)n1c(C(C)(C)C)nc2c(-c3nc(C4CCCCC4)cs3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.35
IDO1 P14902 1/20 0.33
PLAT P00750 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
APLNR P35414 3/20 0.31
AXL P30530 1/20 0.30
CCR5 P51681 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
SCHEMBL878222 0.85 IDO1 (0.36) C1SIDO1PLATTAAR1APLNR
SCHEMBL883060 0.85 C1S (0.39) C1SIDO1PLATTAAR1APLNR
SCHEMBL10266425 0.84 C1S (0.36) C1SIDO1PLATTAAR1APLNR
SCHEMBL12730472 0.84 IDO1 (0.35) C1SIDO1PLATTAAR1APLNR
SCHEMBL3431041 0.83 C1S (0.35) C1SIDO1PLATTAAR1APLNR
SCHEMBL1654372 0.82 AXL (0.35) C1SIDO1PLATTAAR1APLNR
SCHEMBL1688346 0.79 NPC1 (0.36) PLATTAAR1APLNRAXL
SCHEMBL2624059 0.75 MAPK14 (0.33) APLNRAXL
SCHEMBL2624061 0.75 PLAT (0.38) PLATTAAR1AXL
SCHEMBL2624052 0.75 PIK3R2 (0.34) APLNR

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP C1S 883/4885IDO1 517/4885PLAT 291/4885

“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.