SCHEMBL2818129

SCHEMBL2818129

COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 1.00
KDM4E B2RXH2 3/20 0.75
ALDH1A1 P00352 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C9 P11712 1/20 0.75
HPGD P15428 1/20 0.75
CYP2C19 P33261 1/20 0.75
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL13116266 0.89 PTGDR2 (0.80) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11097519 0.88 PTGDR2 (0.79) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
Fentiazac SCHEMBL16196751 0.86 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL1514667 0.86 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
Fentiazac SCHEMBL24355 0.86 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2821829 0.85 PTGDR2 (0.74) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
Fentiazac SCHEMBL5390943 0.85 PTGDR2 (0.97) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11100736 0.85 PTGDR2 (0.82) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2820684 0.84 PTGDR2 (0.73) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11101880 0.84 PTGDR2 (0.72) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US claimed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP claimed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 WO claimed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 WO disclosed
EP-0037710-B1 THIAZOLE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1984-08-01 EP disclosed
US-4385059-A 4-(4-CHLOROPHENYL)-2-(4-HYDROXYPHENYL)THIAZOLE-5-ACETIC ACID JOHN WYETH AND BROTHER LIMITED (GB) 1983-05-24 US disclosed
EP-0037710-A1 Thiazole derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-10-14 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 (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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 PTGDR2 1487/4885KDM4E 801/4885ALDH1A1 4600/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 PTGDR2 2228/4885KDM4E 687/4885ALDH1A1 4245/4885

“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.