SCHEMBL3239462

SCHEMBL3239462

[CH2]C(S)(CCc1ccccn1)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 4/20 0.45
PTPRA P18433 1/20 0.42
HRH1 P35367 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 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
SCHEMBL30925300 0.81 CYP1A2 (0.57) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL2452835 0.81 CYP1A2 (0.57) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL11074830 0.79 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL10759826 0.76 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL7206606 0.74 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL27461429 0.73 CYP1A2 (0.55) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL6856046 0.72 CYP1A2 (0.54) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL8503990 0.72 CYP1A2 (0.70) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL28456749 0.71 SMN1; SMN2 (0.81) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA
SCHEMBL6532240 0.70 CYP1A2 (0.58) CYP1A2SMN1; SMN2CYP2C19RAB9APTPRA

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
US-8846898-B2 Phosphinoamidite carboxylates and analogs thereof in the synthesis of oligonucleotide having reduced internucleotide charge Lieure Cornu LLC (US) 2014-09-30 US disclosed
US-20100311960-A1 Phosphinoamidite Carboxylates and Analogs Thereof in the Synthesis of Oligonucleotide Having Reduced Internucleotide Charge LIEVRE CORNU LLC (US) 2010-12-09 US disclosed
US-7745591-B2 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance Lievre Cornu, LLC (US) 2010-06-29 US disclosed
US-20060293511-A1 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance LIEVRE CORNU LLC (US) 2006-12-28 US disclosed
US-20040116687-A1 oligonucleotides having reduced internucleotide charge and enhanced nuclease resistance AGILENT TECHNOLOGIES, INC. 2004-06-17 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 (2 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-20100311960-A1 Phosphinoamidite Carboxylates and Analogs Thereof in the Synthesis of Oligonucleotide Having Reduced Internucleotide Charge NSUN2, POLL, DUT CYP1A2 4039/4885SMN1; SMN2 1723/4885CYP2C19 3403/4885
US-20060293511-A1 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance NSUN2, ADAR, POLL CYP1A2 4066/4885SMN1; SMN2 1210/4885CYP2C19 3121/4885

“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.