SCHEMBL3630675

SCHEMBL3630675

COc1ccccc1CS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CHRM2 P08172 6/20 0.47
CHRM1 P11229 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
BCHE P06276 2/20 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
SCHEMBL2719015 0.84 HTT (0.53) HTTCA12CA1CA2CA5A
SCHEMBL514864 0.82 HTT (0.51) HTTCA12CA1CA2CA5A
SCHEMBL28365141 0.81 CA12 (0.55) HTTCA12CA1CA2CA5A
SCHEMBL27946506 0.81 L3MBTL1 (0.47) KDM4EPOLBHPGDLMNASMN1; SMN2
SCHEMBL514863 0.81 HTT (0.50) HTTCA12CA1CA2CA5A
SCHEMBL30297734 0.81 CA2 (0.58) HTTCA12CA1CA2CA5A
SCHEMBL1694632 0.81 CA2 (0.58) HTTCA12CA1CA2CA5A
SCHEMBL14378243 0.81 HTT (0.50) HTTCA12CA1CA2CA5A
SCHEMBL5984089 0.81 KDM4E (0.54) HTTCA12CA1CA2CA5A
SCHEMBL7237280 0.79 KDM4E (0.53) HTTCA12CA1CA2CA5A

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
US-20230309502-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATEMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-10-05 US claimed
WO-2023158815-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-08-24 WO claimed
CN-114685399-A Preparation method of urapidil intermediate 1- (2-methoxyphenyl) piperazine and salt thereof 河北广祥制药有限公司 2022-07-01 CN claimed
US-20230309502-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATEMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-10-05 US disclosed
WO-2023158815-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-08-24 WO disclosed
CN-110407741-B Anti-inflammatory compound and preparation and application thereof 启元生物(杭州)有限公司 2023-03-21 CN disclosed
CN-114685399-A Preparation method of urapidil intermediate 1- (2-methoxyphenyl) piperazine and salt thereof 河北广祥制药有限公司 2022-07-01 CN disclosed
CN-114685399-A Preparation method of urapidil intermediate 1- (2-methoxyphenyl) piperazine and salt thereof 河北广祥制药有限公司 2022-07-01 CN disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
EP-2231680-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF Massachusetts Institute of Technology (US) 2010-09-29 EP disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
WO-2009076622-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-18 WO disclosed
US-4415574-A BACTERICIDES; MEDICINES; POTENTIATION OF SULFA DRUGS S. A. PANMEDICA (FR) 1983-11-15 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 (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-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST HTT 3512/4885CA12 566/4885CA1 669/4885

“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.