SCHEMBL1942574

SCHEMBL1942574

COc1ccc2c(O[C@@H]3CC4C(=O)N[C@@H](C(=O)O)CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N+]4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TACR3 P29371 8/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ KLK7 P49862 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL3283641 0.83 CTSB (0.44) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3040552 0.78 CTSB (0.43) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3277219 0.78 CTSB (0.42) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3276524 0.77 CTSB (0.42) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL5152264 0.77 ADRB3 (0.44) CTSB
SCHEMBL14623167 0.76 CTSB (0.38) CTSBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1013638 0.74 KDM4E (0.49) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL1013614 0.74 KDM4E (0.49) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL1069117 0.74 KDM4E (0.49) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL1941411 0.74 ADRB3 (0.47) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3

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
EP-1455809-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 — — EP disclosed
US-6867185-B2 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 — — US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — 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-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 CTSB 138/4885KDM4E 3631/4885SMN1; SMN2 4699/4885

“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.

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