SCHEMBL7430849

SCHEMBL7430849

O=S(=O)(c1ccccc1)N1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
ALDH1A1 P00352 4/20 0.60
POLB P06746 1/20 0.56
NPY2R P49146 3/20 0.55
KDM4E B2RXH2 3/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.49
GCK P35557 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL7442335 0.92 ALDH1A1 (0.52) PKMALDH1A1POLBNPY2RKDM4E
SCHEMBL10460811 0.90 ALDH1A1 (0.52) PKMALDH1A1POLBNPY2RKDM4E
SCHEMBL10460341 0.87 NPY2R (0.55) PKMALDH1A1NPY2RKDM4EL3MBTL1
SCHEMBL10461596 0.86 MEN1 (0.56) PKMALDH1A1POLBNPY2RKMT2A
SCHEMBL10460610 0.86 NPY2R (0.49) PKMALDH1A1POLBNPY2RKDM4E
SCHEMBL7432420 0.85 ALDH1A1 (0.55) PKMALDH1A1POLBKDM4EHPGD
SCHEMBL5915273 0.82 NPY2R (0.60) PKMALDH1A1NPY2RKDM4EL3MBTL1
SCHEMBL19121774 0.77 ALDH1A1 (0.56) ALDH1A1NPY2RKDM4EKMT2AMEN1
SCHEMBL22773254 0.77 ALDH1A1 (0.63) ALDH1A1NPY2RKDM4EKMT2AMEN1
SCHEMBL21382028 0.77 ALDH1A1 (0.63) ALDH1A1NPY2RKDM4EKMT2AMEN1

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-20200231551-A1 COMPOSITIONS AND USES THEREOF UNIVERSITY OF VIRGINIA 2020-07-23 US disclosed
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP 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-20200231551-A1 COMPOSITIONS AND USES THEREOF CYP11B2, NQO1, CYP11B1 PKM 1374/4885ALDH1A1 274/4885POLB 804/4885

“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.