SCHEMBL79571

SCHEMBL79571

CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccc(CNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)c2)[nH]c1=O

nearest known ligand 0.94

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.46
▸ CA1 P00915 8/20 0.46
▸ CA2 P00918 8/20 0.46
▸ CA9 Q16790 8/20 0.46
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ PSEN1 P49768 3/20 0.38
▸ PSEN2 P49810 3/20 0.38
▸ APH1B Q8WW43 3/20 0.38
▸ NCSTN Q92542 3/20 0.38
▸ APH1A Q96BI3 3/20 0.38
▸ PSENEN Q9NZ42 3/20 0.38
▸ PSMD11 O00231 1/20 0.37
▸ HSPA8 P11142 1/20 0.37
▸ GIGYF2 Q6Y7W6 1/20 0.37

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
SCHEMBL79858 0.97 CA12 (0.44) CA12CA1CA2CA9ITGB1
SCHEMBL80511 0.85 CA12 (0.45) CA12CA1CA2CA9ITGB1
SCHEMBL79845 0.77 NAMPT (0.36) —
SCHEMBL79217 0.74 CYP1A2 (0.47) —
SCHEMBL87586 0.74 CYP1A2 (0.47) —
SCHEMBL30338340 0.74 CYP1A2 (0.47) —
SCHEMBL30712995 0.73 TUBB4A (0.41) —
SCHEMBL806877 0.72 CYP1A2 (0.41) —
SCHEMBL31578430 0.70 CA12 (0.74) CA12CA1CA2CA9ITGB1
SCHEMBL9412855 0.69 CA12 (0.75) CA12CA1CA2CA9ITGB1

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-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 — — US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 — — US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 — — US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 — — 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-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS CA12 4187/4885CA1 4739/4885CA2 4773/4885

“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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