SCHEMBL3915596

SCHEMBL3915596

O=S(=O)(c1cccc(B(O)O)c1)N1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 4/20 0.62
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
THRB P10828 1/20 0.62
HTT P42858 1/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
IL1RN P18510 1/20 0.59
USP2 O75604 1/20 0.55
MCOLN3 Q8TDD5 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL29956375 1.00 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL519915 0.98 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL12538126 0.84 TSHR (0.60) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL29664081 0.84 TSHR (0.60) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL21813105 0.84 POLB (0.61) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL1742543 0.81 USP2 (0.71) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL12674581 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL4555427 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL28308929 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL31684030 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNATSHRNPSR1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339145-A Bicyclic fused ring derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-12 CN disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
US-7494994-B2 Phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2009-02-24 US disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed
US-20060258670-A1 New phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2006-11-16 US disclosed
EP-1562961-B1 HALO SULFONYL ARYL BORONATES NOVO NORDISK AS (DK) 2006-10-25 EP disclosed
EP-1562961-A1 HALO SULFONYL ARYL BORONATES NOVO NORDISK A/S (DK) 2005-08-17 EP disclosed
US-6872849-B2 Halo sulfonyl aryl boronates NOVO NORDISK A/S (DK) 2005-03-29 US disclosed
US-20040116701-A1 Halo sulfonyl aryl boronates NOVO NORDISK A/S (DK) 2004-06-17 US disclosed
WO-2004041833-A1 HALO SULFONYL ARYL BORONATES NOVO NORDISK A/S (DK) 2004-05-21 WO 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-20060258670-A1 New phenylpyridylpiperazine compounds HRH4, HRH3, HRH2 ALDH1A1 3223/4885SMN1; SMN2 3085/4885LMNA 4719/4885
US-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 ALDH1A1 3067/4885SMN1; SMN2 2607/4885LMNA 1689/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ALDH1A1 3879/4885SMN1; SMN2 1326/4885LMNA 842/4885

“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.