SCHEMBL10024166

SCHEMBL10024166

C=CCOc1c(Cl)cc(C(=O)N[C@H]2CCCC[C@@H]2S(=O)(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS1R3 Q7RTX0 11/20 0.39
TAS1R2 Q8TE23 7/20 0.39
TAS1R1 Q7RTX1 10/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCR5 P32302 1/20 0.37
SCN9A Q15858 1/20 0.36
SSTR3 P32745 3/20 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
SCHEMBL10024170 0.84 TAS1R3 (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL10024169 0.84 TAS1R3 (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL10024167 0.68 L3MBTL1 (0.47) NPC1RAB9AMEN1KMT2ATAS1R3
SCHEMBL3472930 0.68 PLAU (0.58) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6018683 0.68 MEN1 (0.45) MAPTMEN1KMT2ALMNATSHR
SCHEMBL16254042 0.67 HTR1A (0.39) NPC1RAB9AMEN1KMT2ATAS1R3
SCHEMBL6018771 0.67 CXCR5 (0.37) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6243822 0.67 CXCR5 (0.37) NPC1MAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6018686 0.67 PLAU (0.57) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL27139434 0.67 MEN1 (0.47) MAPTMEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895732-B2 Process for the separation of enantiomers of 3,6-dihydro-1,3,5-triazine derivatives MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-8895732-B2 Process for the separation of enantiomers of 3,6-dihydro-1,3,5-triazine derivatives MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-20120016121-A1 Process for the separation of enantiomers of 3,6-dihydro-1,3,5-triazine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 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-20120016121-A1 Process for the separation of enantiomers of 3,6-dihydro-1,3,5-triazine derivatives RER1, ABCB11, SLC67A1 NPC1 1047/4885MAPT 4094/4885RAB9A 2186/4885

“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.