SCHEMBL8618544

SCHEMBL8618544

CC(C)(C)c1cc(/C=C2/SC(=S)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 1.00
PTGS1 P23219 3/20 0.75
NAT1 P18440 3/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
KMT2A Q03164 1/20 0.68
CISD1 Q9NZ45 1/20 0.64
PIK3CG P48736 1/20 0.62
DNM1 Q05193 1/20 0.58
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57

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
SCHEMBL8309757 1.00 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL7768284 1.00 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8535410 0.92 PTGS2 (0.85) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8535412 0.92 PTGS2 (0.85) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL10519512 0.89 PTGS2 (0.80) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8536872 0.87 PTGS2 (0.76) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8536869 0.87 PTGS2 (0.76) PTGS2PTGS1NAT1MEN1NPC1
SCHEMBL8962138 0.86 PTGS2 (1.00) PTGS2PTGS1NAT1GAACISD1
SCHEMBL3667218 0.86 PTGS2 (1.00) PTGS2PTGS1NAT1GAACISD1
SCHEMBL3667216 0.86 PTGS2 (1.00) PTGS2PTGS1NAT1GAACISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357701-B2 Galactokinase inhibitors UNIVERSITY OF MIAMI (US) 2013-01-22 US disclosed
US-8357701-B2 Galactokinase inhibitors UNIVERSITY OF MIAMI (US) 2013-01-22 US disclosed
US-20110251236-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF MIAMI (US) 2011-10-13 US disclosed
US-20110251236-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF MIAMI (US) 2011-10-13 US disclosed
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 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-20110251236-A1 GALACTOKINASE INHIBITORS GALK1, GALE, GALC PTGS2 3336/4885PTGS1 2971/4885NAT1 580/4885

“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.