SCHEMBL12310543

SCHEMBL12310543

Cc1c(S(N)(=O)=O)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ PTGS2 P35354 5/20 0.50
▸ SLC9A1 P19634 1/20 0.48
▸ SLC9A2 Q9UBY0 1/20 0.48
▸ GRM5 P41594 1/20 0.45
▸ PTGS1 P23219 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL3067958 0.83 KDM4E (0.55) MAPK1PTGS2SLC9A1SLC9A2KDM4E
SCHEMBL1338189 0.83 MAPK1 (0.51) MAPK1PTGS2SLC9A1SLC9A2KDM4E
SCHEMBL20916370 0.78 GRM2 (0.49) MAPK1PTGS2SLC9A1SLC9A2GRM5
SCHEMBL29782530 0.73 MAPT (0.47) PTGS2PTGS1ALDH1A1HTTNPC1
SCHEMBL20916386 0.73 MAPT (0.47) PTGS2PTGS1ALDH1A1HTTNPC1
SCHEMBL14495381 0.73 MAPK1 (0.59) MAPK1PTGS2SLC9A1SLC9A2NPC1
SCHEMBL1368996 0.73 NPC1 (0.58) MAPK1PTGS2SLC9A1SLC9A2POLB
SCHEMBL33199 0.73 MAPK1 (0.54) MAPK1PTGS2SLC9A1SLC9A2KDM4E
SCHEMBL3841619 0.72 MAPK1 (0.58) MAPK1PTGS2SLC9A1SLC9A2NPC1
SCHEMBL9202299 0.71 KDM4E (0.71) MAPK1PTGS2PTGS1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 — — US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 — — 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-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 MAPK1 779/4885PTGS2 1303/4885SLC9A1 1172/4885

“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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