SCHEMBL14294226

SCHEMBL14294226

CN(c1cccc2ccccc12)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.52
▸ KMT2A Q03164 2/20 0.47
▸ KEAP1 Q14145 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PER2 O15055 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CRY1 Q16526 1/20 0.46
▸ CRY2 Q49AN0 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ C5AR1 P21730 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41

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
SCHEMBL30983123 0.83 SIGMAR1 (0.50) SIGMAR1KMT2AKEAP1ALDH1A1MEN1
SCHEMBL14599187 0.79 KMT2A (0.40) KMT2AALDH1A1MEN1PER2MAPT
SCHEMBL998560 0.77 SIGMAR1 (0.52) SIGMAR1KMT2AKEAP1ALDH1A1MAPT
Sulfamide SCHEMBL3360909 0.77 CA2 (0.61) SIGMAR1KMT2AMAPTHTTL3MBTL1
SCHEMBL7478787 0.75 SIGMAR1 (0.59) SIGMAR1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL27586816 0.75 SIGMAR1 (0.46) SIGMAR1KMT2AKEAP1ALDH1A1MEN1
SCHEMBL29555314 0.74 SIGMAR1 (0.63) SIGMAR1ALDH1A1MAPTCA2TSHR
SCHEMBL1683320 0.74 SIGMAR1 (0.63) SIGMAR1KEAP1ALDH1A1MAPTHPGD
SCHEMBL29364795 0.74 SIGMAR1 (0.63) SIGMAR1ALDH1A1MAPTCA2TSHR
SCHEMBL27737084 0.74 SIGMAR1 (0.63) SIGMAR1ALDH1A1MAPTCA2TSHR

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-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 — — US disclosed
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 — — 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-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A SIGMAR1 638/4885KMT2A 2004/4885KEAP1 2388/4885

“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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