SCHEMBL17404464

SCHEMBL17404464

O=S(=O)(CC1CC1)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.46
KEAP1 Q14145 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GBA1 P04062 1/20 0.44
IL1RN P18510 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
GAK O14976 1/20 0.41
STK16 O75716 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NR3C2 P08235 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
SCHEMBL17404463 0.93 ACLY (0.53) ACLYKEAP1CA1CA2GBA1
SCHEMBL22619046 0.80 GAK (0.44) ACLYCA1CA2GAKSTK16
SCHEMBL10443735 0.77 CA2 (0.54) KEAP1CA1CA2IL1RNERAP1
SCHEMBL22928007 0.76 EPHA3 (0.43) CA1CA2CYP1A2CYP2C19ALDH1A1
SCHEMBL12678587 0.75 HDAC1 (0.37) ACLYALDH1A1GAKSTK16AAK1
SCHEMBL15672897 0.74 CA2 (0.56) KEAP1CA1CA2IL1RNERAP1
SCHEMBL6533144 0.74 CA1 (0.56) KEAP1CA1CA2IL1RNERAP1
SCHEMBL22619016 0.74 ACLY (0.44) ACLYCA1CA2GAKSTK16
SCHEMBL19808493 0.74 KEAP1 (0.39) KEAP1CA1CA2IL1RNERAP1
SCHEMBL97856 0.74 ACLY (0.41) ACLYKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS CORNELL UNIVERSITY 2021-08-19 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-10457655-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-10399951-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-09-03 US disclosed
US-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 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 (12 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-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ACLY 537/4885KEAP1 753/4885CA1 3455/4885
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ACLY 537/4885KEAP1 753/4885CA1 3455/4885
US-10399951-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ACLY 496/4885KEAP1 913/4885CA1 2541/4885
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FASN, IL1RN, CCR1 ACLY 2800/4885KEAP1 1395/4885CA1 797/4885
US-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ACLY 393/4885KEAP1 868/4885CA1 2375/4885
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS AIFM2, FABP7, FASN ACLY 2348/4885KEAP1 3382/4885CA1 2462/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ACLY 393/4885KEAP1 868/4885CA1 2375/4885
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ACLY 537/4885KEAP1 753/4885CA1 3455/4885
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ACLY 537/4885KEAP1 753/4885CA1 3455/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ACLY 537/4885KEAP1 753/4885CA1 3455/4885
US-10457655-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ACLY 393/4885KEAP1 868/4885CA1 2375/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ACLY 393/4885KEAP1 868/4885CA1 2375/4885

“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.