SCHEMBL7068094

SCHEMBL7068094

Cc1noc(C)c1S(=O)(=O)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 4/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CHRM4 P08173 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
SCHEMBL7223761 0.74 MAPK1 (0.36) TSHRKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL7741925 0.74 SLC9A1 (0.64) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL27564303 0.73 SLC9A1 (0.43) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7746353 0.73 SLC9A1 (1.00) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL29479875 0.71 SLC9A1 (1.00) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL2491809 0.71 SLC9A1 (1.00) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL439391 0.71 SLC9A1 (0.64) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL29479871 0.71 SLC9A1 (0.64) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL16974408 0.70 KMT2A (0.70) SLC9A1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7573640 0.70 ALDH1A1 (0.57) ALDH1A1TSHRKMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569869-B2 In crop protection and in the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 — — US disclosed
US-6566383-B2 Used for controlling undesirable microorganisms BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 — — US disclosed
US-20030032811-A1 Microbiocides; fungicides ASSMANN LUTZ (DE) 2003-02-13 — — US disclosed
US-20020143184-A1 Annulated azole derivatives useful as microbicidal agents ASSMANN LUTZ (DE) 2002-10-03 — — US disclosed
US-6387922-B2 A BICYCLIC TRIAZOLE OR DIAZOLE CONTAINING SULFONYL OR PHOSPHINE OXIDE OR THIOPHOSPHORUS DERIVATIVES; USEFUL AS BACTERICIDE AND FUNGICIDE IN CROP PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 — — US disclosed
US-6384066-B1 SULFONYLTRIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-07 — — US disclosed
US-20010029237-A1 Annulated azole derivatives useful as microbicidal agents ASSMANN LUTZ (DE) 2001-10-11 — — US disclosed
EP-1117654-A1 SULFONYLTRIAZOL DERIVATIVES AND THEIR USE FOR COMBATING MICRO-ORGANISMS Bayer Aktiengesellschaft (DE) 2001-07-25 — — EP disclosed
US-6214840-B1 FUNGICIDES; BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 — — US disclosed
WO-2000018742-A1 SULFONYLTRIAZOL DERIVATIVES AND THEIR USE FOR COMBATING MICRO-ORGANISMS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-06 — — WO disclosed
EP-0966467-A1 ANNULATED AZOLE DERIVATIVES USEFUL AS MICROBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 1999-12-29 — — EP disclosed
WO-1998039331-A1 ANNULATED AZOLE DERIVATIVES USEFUL AS MICROBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 — — 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 (3 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-20010029237-A1 Annulated azole derivatives useful as microbicidal agents ARG1, MSR1, ARG2 SLC9A1 561/4885ALDH1A1 304/4885TSHR 4378/4885
US-20020143184-A1 Annulated azole derivatives useful as microbicidal agents ARG1, MSR1, ARG2 SLC9A1 561/4885ALDH1A1 304/4885TSHR 4378/4885
US-20030032811-A1 Microbiocides; fungicides MSR1, MPO, ARG1 SLC9A1 1625/4885ALDH1A1 353/4885TSHR 988/4885

“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.

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