SCHEMBL588956

SCHEMBL588956

CC(=O)NC(CO)(CO)CCc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.39
ACACB O00763 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL9891052 0.86 S1PR1 (0.42) TAAR1ACACBKDM4EKMT2ANPC1
SCHEMBL17427772 0.86 PLK1 (0.44) POLBCTDSP1ACACBKDM4ES1PR1
SCHEMBL24430171 0.86 NPC1 (0.45) KDM4ENPC1HPGDSMN1; SMN2S1PR1
SCHEMBL8496037 0.84 S1PR1 (0.52) POLBTAAR1LMNACYP1A2KDM4E
SCHEMBL15958710 0.84 ALDH1A1 (0.46) POLBTAAR1LMNAKDM4EMAPT
SCHEMBL589863 0.82 KDM4E (0.39) POLBCTDSP1TAAR1LMNAACACB
SCHEMBL16202271 0.82 LMNA (0.46) POLBTAAR1LMNAACACBCYP1A2
SCHEMBL12064836 0.82 TNNC1 (0.43) LMNACYP1A2NPC1HPGDSMN1; SMN2
SCHEMBL5991714 0.82 EPHX2 (0.39) KDM4EKMT2AS1PR1
SCHEMBL8496762 0.81 S1PR1 (0.60) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087357-B Preparation method of Prisamod 中国医学科学院药物研究所 2022-07-19 CN disclosed
CN-111087356-B Preparation method of Iguratimod 中国医学科学院药物研究所 2022-06-21 CN disclosed
CN-111087357-A Preparation method of Prisamod 中国医学科学院药物研究所 2020-05-01 CN disclosed
CN-111087356-A Preparation method of Iguratimod 中国医学科学院药物研究所 2020-05-01 CN disclosed
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 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-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 POLB 2121/4885CTDSP1 3725/4885TAAR1 341/4885

“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.