SCHEMBL18019672

SCHEMBL18019672

CC(N[S@+]([O-])C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.34
TGFBR1 P36897 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPKAPK2 P49137 3/20 0.33
TRPV3 Q8NET8 1/20 0.33
MAP4K4 O95819 1/20 0.33
PHGDH O43175 1/20 0.32
GPR55 Q9Y2T6 5/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32

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
SCHEMBL17981980 1.00 MAPK14 (0.34) MAPK14TGFBR1MEN1NPC1CASP3
SCHEMBL19837736 1.00 MAPK14 (0.34) MAPK14TGFBR1MEN1NPC1CASP3
SCHEMBL19837735 1.00 MAPK14 (0.34) MAPK14TGFBR1MEN1NPC1CASP3
SCHEMBL22309133 0.81 NPC1 (0.37) MAPK14NPC1GPR55
SCHEMBL22309134 0.81 NPC1 (0.37) MAPK14NPC1GPR55
SCHEMBL24295095 0.78 HTT (0.38) MEN1NPC1KMT2AMAPKAPK2
SCHEMBL1882904 0.78 HTT (0.38) MEN1NPC1KMT2AMAPKAPK2
SCHEMBL16903848 0.78 HTT (0.38) MEN1NPC1KMT2AMAPKAPK2
SCHEMBL19837726 0.76 LOXL2 (0.36)
SCHEMBL19837727 0.76 LOXL2 (0.36)

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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 MAPK14 3387/4885TGFBR1 3557/4885MEN1 1379/4885

“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.