SCHEMBL6257

SCHEMBL6257

CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
FPR2 P25090 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA12 O43570 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL439856 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6256 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL1000358 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL7182 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6082774 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL15977387 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL15235893 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL14870924 0.87 MAPT (0.50) TSHRHTTMAPTPKMMAPK1
SCHEMBL15428491 0.86 MAPT (0.47) TSHRMAPTPKMALDH1A1CA1
SCHEMBL433974 0.86 MAPT (0.47) TSHRMAPTPKMALDH1A1CA1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 US disclosed
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-09-16 US disclosed
EP-3819305-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2021-05-12 EP disclosed
CN-112543764-A Amide compound with BET proteolysis induction effect and medical application thereof 田边三菱制药株式会社 2021-03-23 CN disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders MERCK & CO., INC. 2006-11-16 US disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 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 (8 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 TSHR 1842/4885HTT 4046/4885MAPT 4438/4885
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders PPP3CA, PTPA, PPP3CB TSHR 2711/4885HTT 3376/4885MAPT 2114/4885
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C TSHR 2377/4885HTT 3693/4885MAPT 1400/4885
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof BET1, BRD4, PHKB TSHR 3428/4885HTT 2595/4885MAPT 3109/4885
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF BET1, BRD4, PHKB TSHR 3434/4885HTT 2656/4885MAPT 3143/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 TSHR 1703/4885HTT 4202/4885MAPT 4549/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 TSHR 3814/4885HTT 4678/4885MAPT 2478/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 TSHR 4395/4885HTT 4464/4885MAPT 2177/4885

“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.