SCHEMBL6442526

SCHEMBL6442526

NC(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.57
▸ SCN4A P35499 2/20 0.56
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ TACR1 P25103 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ TDO2 P48775 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL3289611 0.92 SLC6A4 (0.52) SLC6A4SCN4ASLC6A2SLC6A3TACR1
SCHEMBL272604 0.85 EPHX1 (0.61) SLC6A4SCN4ASLC6A2SLC6A3CYP1A2
SCHEMBL3451169 0.85 EPHX1 (0.61) SLC6A4SCN4ASLC6A2SLC6A3CYP1A2
SCHEMBL468022 0.85 EPHX1 (0.61) SLC6A4SCN4ASLC6A2SLC6A3CYP1A2
SCHEMBL5551844 0.83 SLC6A2 (0.53) SLC6A4SCN4ASLC6A2SLC6A3TACR1
Hydrochloric Acid SCHEMBL28839661 0.83 EPHX1 (0.58) SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL9322166 0.82 MAOB (0.50) SLC6A4SCN4ASLC6A2SLC6A3CYP1A2
SCHEMBL17887234 0.82 ACP3 (0.51) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL9194002 0.80 HTR2A (0.52) SLC6A4SLC6A2SLC6A3TACR1CYP1A2
SCHEMBL8068540 0.80 HTR2A (0.52) SLC6A4SLC6A2SLC6A3TACR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297282-A REACTING AN A-METHYL-B-ACYLTHIOPROPIONIC ACID WITH AN OPTICALLY ACTIVE ARYLALKYL PRIMARY AMINE; CRYSTALLIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 — — US claimed
JP-56007756-A — — None — — JP disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 — — US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 — — US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 — — US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 — — US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 — — US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 — — EP disclosed
US-6017910-A PCP receptor ligands and the use thereof STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 2000-01-25 — — US disclosed
US-5688789-A TREATMENT OR PREVENTION OF NEURONAL LOSS IN ISCHEMIA, HYPOXIA, BRAIN OR SPINAL CORD TRAUMA, TREATMENT OF ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE, DOWN'S SYNDROME STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-11-18 — — US disclosed
US-5508401-A N-METHYL-D-ASPARTATE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 — — US disclosed
EP-0573548-B1 NEUROPROTECTANT AGENTS AMERICAN HOME PROD (US) 1995-07-12 — — EP disclosed
EP-0587670-A4 PCP RECEPTOR LIGANDS AND THE USE THEREOF. OREGON STATE (US) 1995-02-01 — — EP disclosed
EP-0587670-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1994-03-23 — — EP disclosed
WO-1992019621-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1992-11-12 — — WO disclosed
EP-0092194-B1 METHOD OF OBTAINING OPTICALLY ACTIVE HALF ESTERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-08 — — EP disclosed
US-4411836-A HEATING IN PRESENCE OF FATTY OR AROMATIC ACID SALT OR TERTIARY AMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-25 — — US disclosed
US-4297282-A REACTING AN A-METHYL-B-ACYLTHIOPROPIONIC ACID WITH AN OPTICALLY ACTIVE ARYLALKYL PRIMARY AMINE; CRYSTALLIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 — — US disclosed
JP-S567756-A PREPARATION OF OPTICALLY ACTIVE D-ALPHA-METHYL-BETA- MERCAPTOPROPIONIC ACID DERIVATIVE SUMITOMO CHEM CO LTD 1981-01-27 — — JP 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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 SLC6A4 1024/4885SCN4A 1299/4885SLC6A2 859/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 SLC6A4 1142/4885SCN4A 461/4885SLC6A2 958/4885

“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.

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