SCHEMBL16409160

SCHEMBL16409160

CC(=O)C(C)(C)C1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
USP2 O75604 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
SCHEMBL12928721 0.94 KMT2A (0.30) KMT2A
SCHEMBL7919980 0.83 SMN1; SMN2 (0.32) KMT2ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL13769521 0.82 NPC1 (0.31) KMT2ASMN1; SMN2NPC1
SCHEMBL19388394 0.79 KMT2A (0.32) KMT2ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL16407779 0.79 HPGD (0.32) SMN1; SMN2NPC1
SCHEMBL16370425 0.79 HPGD (0.35) KMT2ASMN1; SMN2NPC1MEN1LMNA
SCHEMBL15114499 0.78 SLC6A3 (0.33) KMT2AMEN1
SCHEMBL8283501 0.76 EPHX1 (0.31)
Acetic Acid SCHEMBL27789957 0.75 KMT2A (0.34) KMT2ASMN1; SMN2MEN1LMNAPOLB
SCHEMBL17816478 0.74 HPGD (0.37) SMN1; SMN2NPC1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KMT2A 4038/4885SMN1; SMN2 4705/4885NPC1 414/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KMT2A 4038/4885SMN1; SMN2 4705/4885NPC1 414/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KMT2A 4192/4885SMN1; SMN2 4657/4885NPC1 706/4885

“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.