SCHEMBL6825821

SCHEMBL6825821

Cc1ccc(S(=O)(=O)CCC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
KMT2A Q03164 6/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.50
MMP1 P03956 1/20 0.49
MMP13 P45452 1/20 0.49
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PAX8 Q06710 1/20 0.45
CTSK P43235 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.43

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
SCHEMBL11037006 0.86 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL8474920 0.85 ALDH1A1 (0.60) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14491377 0.83 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL1752264 0.83 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL41372 0.83 ALDH1A1 (0.82) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL4014240 0.82 KMT2A (0.47) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL31363577 0.82 ALDH1A1 (0.62) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL10258225 0.82 PLCG1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL27487582 0.82 ALDH1A1 (0.62) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL7584620 0.82 ALDH1A1 (0.62) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
US-11591523-B2 Distillation system and method using microwave-assisted pyrolysis RESYNERGI, INC. (US) 2023-02-28 US disclosed
US-20220025274-A1 DISTILLATION SYSTEM AND METHOD USING MICROWAVE-ASSISTED PYROLYSIS RESYNERGI, INC. 2022-01-27 US disclosed
US-10975120-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2021-04-13 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-20150317862-A1 FOOD PRINTING DATA STORE SUBSTRATE STRUCTURE INGESTIBLE MATERIAL PREPARATION SYSTEM AND METHOD ELWHA LLC (US) 2015-11-05 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110098420-A1 CURABLE POLYSILOXANE COMPOSITION, AND POLYSILOXANE CURED PRODUCT, OPTICAL MEMBER, MEMBER FOR AEROSPACE INDUSTRY, SEMICONDUCTOR LIGHT-EMITTING DEVICE, ILLUMINATING DEVICE AND IMAGE DISPLAY DEVICE USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-04-28 US disclosed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 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 (4 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ALDH1A1 4687/4885CYP2C19 1483/4885CYP3A4 1904/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 ALDH1A1 802/4885CYP2C19 801/4885CYP3A4 826/4885
US-10975120-B2 Site-specific chemoenzymatic protein modifications PTMS, TGM3, TGM1 ALDH1A1 3164/4885CYP2C19 1880/4885CYP3A4 2352/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ALDH1A1 1625/4885CYP2C19 712/4885CYP3A4 745/4885

“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.