SCHEMBL18324786

SCHEMBL18324786

Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.39
NEK2 P51955 1/20 0.37
F12 P00748 1/20 0.37
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL18324877 0.86 TP53 (0.39) ALDH1A1TP53MAPTPOLBNEK2
SCHEMBL18324872 0.86 KCNH2 (0.48) ALDH1A1TP53MAPTPOLBKCNH2
SCHEMBL18324880 0.84 KDM4E (0.47) ALDH1A1F12
SCHEMBL20016358 0.83 TP53 (0.38) ALDH1A1CYP2C19TP53MAPTPOLB
SCHEMBL18324883 0.83 ALDH1A1 (0.42) ALDH1A1MAPTTSHRMAPK1
SCHEMBL18324779 0.79 TP53 (0.43) ALDH1A1TP53
SCHEMBL2675756 0.71 HTR1D (0.41) POLBGAAKCNH2
SCHEMBL2676005 0.68 ALDH1A1 (0.51) ALDH1A1CYP2C19MAPTGAAMAPK1
SCHEMBL6645803 0.66 NOS3 (0.44) ALDH1A1CYP2C19TP53MAPTPOLB
SCHEMBL15829995 0.66 ALDH1A1 (0.61) ALDH1A1CYP2C19MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 ALDH1A1 3981/4885CYP2C19 64/4885TP53 4206/4885

“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.