SCHEMBL104506

SCHEMBL104506

CC(C)c1cccc(S(=O)(=O)NC2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
HTR1A P08908 5/20 0.55
HTR7 P34969 5/20 0.55
PARG Q86W56 2/20 0.54
BRD4 O60885 3/20 0.51
KMT2A Q03164 2/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
HTR2A P28223 2/20 0.49
HTR6 P50406 2/20 0.49
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14349658 0.94 ALDH1A1 (0.56) ALDH1A1LMNAHTR1AHTR7PARG
SCHEMBL20885021 0.81 LMNA (0.49) ALDH1A1LMNAHTR1AHTR7BRD4
SCHEMBL12352556 0.80 UCHL1 (0.62) ALDH1A1LMNAPARGKMT2ATDP1
SCHEMBL23988670 0.79 HTR1A (0.46) ALDH1A1LMNAHTR1AHTR7KMT2A
SCHEMBL11992039 0.79 ALDH1A1 (0.63) ALDH1A1LMNAHTR1AHTR7PARG
SCHEMBL12278151 0.78 TNNI3K (0.62) ALDH1A1LMNATDP1KDM4ESMN1; SMN2
SCHEMBL20885013 0.78 KMT2A (0.49) ALDH1A1LMNAHTR1AHTR7KMT2A
SCHEMBL12089569 0.77 CA2 (0.51) ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL17806594 0.76 AKR1C3 (0.41) ALDH1A1HTR1AHTR7TDP1DRD2
SCHEMBL21240889 0.76 ALDH1A1 (0.59) ALDH1A1LMNAPARGBRD4KMT2A

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
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 US disclosed
US-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
US-10206924-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-19 US disclosed
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (8 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-10206924-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 ALDH1A1 4653/4885LMNA 4781/4885HTR1A 3466/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ALDH1A1 3128/4885LMNA 3669/4885HTR1A 2929/4885
US-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 ALDH1A1 3316/4885LMNA 1464/4885HTR1A 4461/4885
US-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ALDH1A1 1643/4885LMNA 285/4885HTR1A 2862/4885
US-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 ALDH1A1 3316/4885LMNA 1464/4885HTR1A 4461/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 ALDH1A1 3316/4885LMNA 1464/4885HTR1A 4461/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 ALDH1A1 1882/4885LMNA 2108/4885HTR1A 3911/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 ALDH1A1 1954/4885LMNA 748/4885HTR1A 3825/4885

“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.