SCHEMBL2142360

SCHEMBL2142360

COc1cncc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.59
▸ CA4 P22748 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GRM5 P41594 1/20 0.45
▸ CYP11B1 P15538 4/20 0.44
▸ CYP11B2 P19099 4/20 0.44
▸ XDH P47989 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ PKN2 Q16513 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
SCHEMBL28684554 0.84 LTA4H (0.48) LTA4HTSHRSMN1; SMN2LMNATDP1
SCHEMBL693394 0.81 CYP1A1 (0.41) LTA4HSMN1; SMN2LMNATDP1GRM5
SCHEMBL18415521 0.81 LTA4H (0.73) LTA4HCA4TSHRSMN1; SMN2CYP1A1
SCHEMBL11490612 0.80 LTA4H (0.48) LTA4HTSHRSMN1; SMN2LMNATDP1
SCHEMBL744752 0.80 CYP1A1 (0.61) GRM5CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL491308 0.79 SMN1; SMN2 (0.70) LTA4HCA4TSHRSMN1; SMN2CYP3A4
Diphenylether SCHEMBL28869227 0.78 LTA4H (0.94) LTA4HCA4TSHRSMN1; SMN2ALDH1A1
Diphenylether SCHEMBL818919 0.78 LTA4H (0.94) LTA4HCA4TSHRSMN1; SMN2ALDH1A1
SCHEMBL15834450 0.77 LTA4H (0.82) LTA4HCA4TSHRSMN1; SMN2ALDH1A1
SCHEMBL2953529 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNATDP1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 — — US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 — — US disclosed
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 — — EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 — — WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 — — 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 (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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 LTA4H 192/4885CA4 4280/4885TSHR 1168/4885

“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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