SCHEMBL3881897

SCHEMBL3881897

CN(C)S(=O)(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
NCEH1 Q6PIU2 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
VCAM1 P19320 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2A6 P11509 1/20 0.42
F10 P00742 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29212110 0.81 NPC1 (0.61) LMNAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL29964126 0.81 NPC1 (0.61) LMNAALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL116525 0.80 LMNA (0.59) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3883747 0.79 AKR1C3 (0.49) MAPTLMNAALDH1A1SMN1; SMN2NCEH1
SCHEMBL5526773 0.78 CYP2A6 (0.50) MAPTLMNAALDH1A1NCEH1MEN1
SCHEMBL11437881 0.78 ALDH1A1 (0.50) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL31689487 0.77 RAB9A (0.54) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL263946 0.77 RAB9A (0.54) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3882038 0.75 LMNA (0.64) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL6926484 0.75 CYP2A6 (0.46) MAPTLMNAALDH1A1MEN1KMT2A

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 MAPT 4799/4885LMNA 820/4885ALDH1A1 409/4885

“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.