SCHEMBL6151456

SCHEMBL6151456

COc1ccc2scc(CO)c2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.60
MTNR1B P49286 5/20 0.60
CYP2A6 P11509 3/20 0.53
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.41
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL17785108 0.87 MTNR1A (0.65) MTNR1AMTNR1BCYP2A6KDM4EALDH1A1
SCHEMBL6839987 0.87 CYP2A6 (0.53) MTNR1AMTNR1BCYP2A6KDM4EALDH1A1
SCHEMBL7340610 0.83 MTNR1A (0.57) MTNR1AMTNR1BCYP2A6KDM4EALDH1A1
SCHEMBL8884503 0.81 KEAP1 (0.62) MTNR1AMTNR1BKDM4EKEAP1NFE2L2
SCHEMBL19611336 0.81 MTNR1A (0.61) MTNR1AMTNR1BCYP2A6KDM4EALDH1A1
SCHEMBL8617176 0.81 MTNR1A (0.54) MTNR1AMTNR1BCYP2A6KDM4EALDH1A1
SCHEMBL8586269 0.81 MTNR1A (0.61) MTNR1AMTNR1BCYP2A6MAPTMEN1
SCHEMBL28559146 0.80 MTNR1A (0.61) MTNR1AMTNR1BMEN1KEAP1NFE2L2
SCHEMBL25030227 0.78 MTNR1A (0.70) MTNR1AMTNR1BATM
SCHEMBL25029782 0.78 HTR2A (0.55) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334095-B1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2005-01-19 EP disclosed
US-20040147787-A1 Process for oxidation of alcohols MILLER ROSS A (US) 2004-07-29 US disclosed
EP-1334095-A4 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2004-03-17 EP disclosed
US-6693203-B2 REACTING NOPINONE ENOLATE WITH ALKYL 7-HALO-5-HEPTYNOATE, REACTING PRODUCT WITH HYDROXYLAMINE, TREATING WITH TITANIUM TRICHLORIDE AND BORANE REAGENT, HYDROGENATING, REACTING WITH 5-HYDROXY-4-BENZOTHIOPHENECARBOXYLIC ACID, HYDROLYZING SHIONOGI & CO., LTD (JP) 2004-02-17 US disclosed
US-20030199702-A1 Process for the preparation of pgd2 antagonist LARSEN ROBERT (US) 2003-10-23 US disclosed
EP-1334095-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD. (JP) 2003-08-13 EP disclosed
WO-2003006435-A1 PROCESS FOR OXIDATION OF ALCOHOLS MERCK & CO., INC. (US) 2003-01-23 WO disclosed
WO-2002032892-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD (JP) 2002-04-25 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 (2 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-20040147787-A1 Process for oxidation of alcohols TPO, ADH1C, GPX4 MTNR1A 1508/4885MTNR1B 1375/4885CYP2A6 587/4885
US-20030199702-A1 Process for the preparation of pgd2 antagonist PTGDR, PTGDR2, PTGER2 MTNR1A 1023/4885MTNR1B 495/4885CYP2A6 227/4885

“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.