SCHEMBL6264177

SCHEMBL6264177

OCCN(CCO)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 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
SCHEMBL13888904 0.89 HTT (0.53) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL995037 0.80 TAAR1 (0.43) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL9826270 0.79 PYCR1 (0.55) ESR1ESR2LMNAGAAMEN1
SCHEMBL14640185 0.78 HRH3 (0.69) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL4592016 0.78 PYCR1 (0.52) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8244785 0.78 HRH3 (0.52) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20470512 0.78 HRH3 (0.61) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3152392 0.78 MAPT (0.60) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6261922 0.78 HRH3 (0.47) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18546022 0.78 HTT (0.69) HTTLMNAGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 — — EP disclosed
CN-1178915-C Alkynyl containing hydroxamic acid derivatives, their preparation and their use as matrix metalloproteinase (MMP) inhibitors/TNF-alpha converting enzyme (TACE) inhibitors ���Ͽع����޹�˾ 2004-12-08 — — CN disclosed
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 — — US disclosed
US-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 — — US disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 — — US disclosed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 — — US disclosed
CN-1337948-A Alkynyl containing hydroxamic acid derivatives, their preparation and their use as matrix metalloproteinase (MMP) inhibitors/TNF-alpha converting enzyme (TACE) inhibitors AMERICAN CYANAMID CO (US) 2002-02-27 — — CN disclosed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — 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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 HTT 3871/4885CYP1A2 2989/4885CYP2D6 3529/4885
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 HTT 3871/4885CYP1A2 2989/4885CYP2D6 3529/4885

“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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