SCHEMBL3055359

SCHEMBL3055359

COc1cc2c(cc1S(N)(=O)=O)CCCC(=O)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
INSR P06213 2/20 0.41
ALK Q9UM73 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
BRD4 O60885 1/20 0.41
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL3171813 0.94 POLB (0.51) POLBALDH1A1MAPTBRD4CA12
SCHEMBL3059033 0.87 CA2 (0.43) POLBPKMCA12CA1CA2
SCHEMBL3041836 0.85 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL3050378 0.85 CA12 (0.47) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3048306 0.84 CMA1 (0.48) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL3049004 0.83 USP2 (0.43) CYP1A2CYP2C19GAAMEN1KMT2A
SCHEMBL3058816 0.81 CA2 (0.43) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL3054092 0.81 HDAC6 (0.53) CYP1A2CYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL3171208 0.78 POLB (0.56) POLBBRD4
SCHEMBL3186155 0.77 GRM5 (0.45) ALDH1A1MAPTPKM

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CYP1A2 954/4885CYP2C9 2935/4885CYP2C19 2904/4885

“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.