SCHEMBL6798938

SCHEMBL6798938

Cc1cc(OCCCS(=O)(=O)O)cc2c1cc(C(=O)NC(=N)N)n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.37
PLA2G2A P14555 2/20 0.37
PHGDH O43175 10/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
PKM P14618 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6797442 0.89 PHGDH (0.39) PLA2G2APHGDH
SCHEMBL6798688 0.87 PLA2G2A (0.34) MCL1PLA2G2APHGDHALDH1A1LMNA
SCHEMBL6794680 0.83 PHGDH (0.34) PHGDH
SCHEMBL6795651 0.82 HPGD (0.41) MCL1ALDH1A1KDM4E
SCHEMBL6792626 0.82 PHGDH (0.31) PHGDH
SCHEMBL6798602 0.81 THRA (0.36) MCL1PHGDHLMNAMAPT
SCHEMBL6798150 0.81 PHGDH (0.33) PHGDH
SCHEMBL6800780 0.80 PLA2G2A (0.34) MCL1PLA2G2APHGDHALDH1A1LMNA
SCHEMBL6794685 0.79 PHGDH (0.35) PHGDH
SCHEMBL6800245 0.73 F10 (0.47) MCL1

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-6734205-B2 SODIUM CHANNEL MODERATORS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-05-11 US disclosed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US disclosed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP 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-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 MCL1 1343/4885PLA2G2A 2199/4885PHGDH 946/4885

“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.