SCHEMBL3316476

SCHEMBL3316476

OCC1CCN(C(O)=S)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
ALOX5 P09917 1/20 0.38
PHGDH O43175 1/20 0.35
KMT2A Q03164 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.32
LTA4H P09960 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
TYMP P19971 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3435150 0.79 ALOX5 (0.37) MGLLALOX5PHGDHKMT2AEPHX2
SCHEMBL3317243 0.79 MGLL (0.37) MGLLPHGDHKMT2ASMN1; SMN2MAPT
SCHEMBL485135 0.76 ALOX5 (0.45) ALOX5KMT2ARAB9AEPHX2ALDH1A1
SCHEMBL27779398 0.76 MGLL (0.35) MGLLPHGDHKMT2ASMN1; SMN2MAPT
SCHEMBL4358273 0.74 KMT2A (0.37) MGLLALOX5PHGDHKMT2ANPC1
SCHEMBL27785354 0.73 ALOX5 (0.46) ALOX5EPHX2ALDH1A1AKR1C3ITGB3
SCHEMBL12474755 0.72 LMNA (0.42) MGLLPHGDHNPC1RAB9AGAA
SCHEMBL30598426 0.70 ALOX5 (0.41) ALOX5KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3316474 0.70 ALOX5 (0.44) ALOX5EPHX2AKR1C3ITGB3ITGA2B
SCHEMBL7963367 0.70 ALOX5 (0.44) ALOX5EPHX2ALDH1A1AKR1C3ITGB3

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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
CN-101641330-A Benzamide derivatives and process for preparing the same DONG A PHARM CO LTD KR 2010-02-03 CN disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 MGLL 2171/4885ALOX5 1005/4885PHGDH 2219/4885

“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.