SCHEMBL16605269

SCHEMBL16605269

NCCSc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(SCCN)cc3)ncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.47
▸ S1PR3 Q99500 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ MMP13 P45452 1/20 0.39
▸ PLAU P00749 1/20 0.39

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
SCHEMBL16605543 0.84 S1PR1 (0.49) S1PR1S1PR3MAPTRAB9A
SCHEMBL24891909 0.79 S1PR1 (0.55) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL24892340 0.79 S1PR1 (0.68) S1PR1S1PR3PLAU
SCHEMBL16605300 0.77 GRM4 (0.48) S1PR1GRM4
SCHEMBL24891915 0.73 KCNH2 (0.47) S1PR1S1PR3KMONPC1RAB9A
SCHEMBL24892341 0.70 S1PR1 (0.65) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL16605492 0.70 TMPRSS4 (0.40) —
SCHEMBL24891901 0.69 MMP13 (0.54) S1PR1S1PR3MMP13PLAU
SCHEMBL5575474 0.68 S1PR1 (0.38) S1PR1KMONPC1RAB9ASMN1; SMN2
SCHEMBL3226691 0.68 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-04-02 — — 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-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA PC, CPS1, GLS2 S1PR1 1131/4885S1PR3 1179/4885MAPT 1315/4885

“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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