SCHEMBL80511

SCHEMBL80511

CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3cccc(CNC(=O)CCCCC4SC[C@H]5NC(=O)N[C@@H]45)c3)c2)[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.45
▸ CA1 P00915 8/20 0.45
▸ CA2 P00918 8/20 0.45
▸ CA9 Q16790 8/20 0.45
▸ ABL1 P00519 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL79571 0.85 CA12 (0.46) CA12CA1CA2CA9ITGB1
SCHEMBL79858 0.82 CA12 (0.44) CA12CA1CA2CA9ITGB1
SCHEMBL9412855 0.70 CA12 (0.75) CA12CA1CA2CA9ABL1
SCHEMBL806881 0.70 CYP1A2 (0.63) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL18705312 0.70 CA12 (0.51) CA12CA1CA2CA9ABL1
SCHEMBL20520178 0.69 CA12 (0.56) CA12CA1CA2CA9ABL1
SCHEMBL11986029 0.69 CYP1A2 (0.69) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL806880 0.69 CYP1A2 (0.61) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL10072788 0.69 CYP1A2 (0.61) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL10073271 0.68 CYP1A2 (0.58) RAF1CYP1A2CDK1CYP2C9CCNB1

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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