SCHEMBL3629646

SCHEMBL3629646

N#Cc1cccc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 4/20 0.60
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.54
IL1RN P18510 1/20 0.54
USP2 O75604 1/20 0.53
MCOLN3 Q8TDD5 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3629308 0.98 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRTHRB
SCHEMBL20183354 0.86 CTSG (0.49) ALDH1A1SMN1; SMN2LMNATSHRTHRB
SCHEMBL10250933 0.86 PKM (0.56) ALDH1A1SMN1; SMN2MAPT
SCHEMBL24317428 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL29532805 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL20183381 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNATSHRTHRB
SCHEMBL8220526 0.84 AKR1C3 (0.50) ALDH1A1SMN1; SMN2LMNATSHRTHRB
SCHEMBL15014519 0.82 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL24571620 0.82 JAK2 (0.51) ALDH1A1SMN1; SMN2LMNANPSR1MAPT
SCHEMBL2961172 0.81 HTT (0.61) ALDH1A1SMN1; SMN2LMNATHRBMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN claimed
CN-107001283-B FLT3 receptor antagonists 国家健康与医学研究院 2021-05-25 CN disclosed
EP-3174859-B1 FLT3 RECEPTOR ANTAGONISTS INST NAT SANTE RECH MED (FR) 2020-04-29 EP disclosed
US-10065937-B2 FLT3 receptor antagonists INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-09-04 US disclosed
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN disclosed
US-20170233354-A1 FLT3 RECEPTOR ANTAGONISTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-08-17 US disclosed
CN-107001283-A Flt3 receptor antagonists 国家健康与医学研究院 2017-08-01 CN disclosed
EP-3174859-A1 FLT3 RECEPTOR ANTAGONISTS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2017-06-07 EP disclosed
WO-2016016370-A1 FLT3 RECEPTOR ANTAGONISTS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-02-04 WO disclosed
EP-2144890-A1 METHOD FOR PREPARING HALOGENATED AMINES Wyeth (US) 2010-01-20 EP disclosed
WO-2008098103-A1 METHOD FOR PREPARING HALOGENATED AMINES WYETH (US) 2008-08-14 WO disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 US disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 US disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 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 (3 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-20170233354-A1 FLT3 RECEPTOR ANTAGONISTS FLT3, CSF1R, CSF3R ALDH1A1 2419/4885SMN1; SMN2 3517/4885LMNA 4733/4885
US-10065937-B2 FLT3 receptor antagonists FLT3, CSF1R, CSF3R ALDH1A1 2419/4885SMN1; SMN2 3517/4885LMNA 4733/4885
US-20080188659-A1 Method for Preparing Halogenated Amines PNMT, ABL1, INMT ALDH1A1 1194/4885SMN1; SMN2 3833/4885LMNA 1481/4885

“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.