SCHEMBL1177682

SCHEMBL1177682

NCC(=O)CCC(=O)OCc1ccccc1.O=S(=O)(O)c1ccccc1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NOTUM Q6P988 1/20 0.46
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CDC25B P30305 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PKM P14618 1/20 0.39

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
Sulfuric Acid SCHEMBL1177401 0.92 ALDH1A1 (0.51) LMNAALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL1177430 0.91 LMNA (0.62) LMNAALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL1177875 0.89 LMNA (0.51) LMNAALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL1177227 0.89 ALDH1A1 (0.58) LMNAALDH1A1MAPK1L3MBTL1NOTUM
Hydrochloric Acid SCHEMBL1177668 0.87 ALDH1A1 (0.56) LMNAALDH1A1MAPK1L3MBTL1NOTUM
Bromide SCHEMBL1177354 0.87 ALDH1A1 (0.56) LMNAALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL1177139 0.87 LMNA (0.46) LMNAALDH1A1MAPK1L3MBTL1NOTUM
Acetic Acid SCHEMBL27674816 0.84 ALDH1A1 (0.54) LMNAALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL1177571 0.84 LMNA (0.47) LMNAALDH1A1MAPK1L3MBTL1NOTUM
SCHEMBL1177415 0.84 ALDH1A1 (0.54) LMNAALDH1A1L3MBTL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308830-B1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES PHOTOCURE ASA (NO) 2017-06-14 EP disclosed
US-8692014-B2 Acid addition salts of 5-aminolevulinic acid or its derivatives PHOTOCURE ASA (NO) 2014-04-08 US disclosed
CN-1938264-B Acid addition salts of 5-aminolevulinic acid or derivatives thereof PHOTOCURE ASA 2012-05-23 CN disclosed
US-20110125012-A1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES BRAENDEN JON ERIK 2011-05-26 US disclosed
EP-2308830-A1 Acid addition salts of 5-aminolevulinic acid or its derivatives Photocure ASA (NO) 2011-04-13 EP disclosed
US-7888526-B2 Nonhygroscopic photosensitizing agents; sulphonate, hydrobromide, sulfate, nitrate and/or phosphate derivatives; diagnosing skin disorders PHOTOCURE ASA (NO) 2011-02-15 US disclosed
US-20080064752-A1 Acid Addition Salts Of-5-Aminolevulinic Acid Or Its Derivatives PHOTOCURE ASA (NO) 2008-03-13 US disclosed
CN-1938264-A Acid addition salts of 5-aminolevulinic acid or derivatives thereof PHOTOCURE ASA (NO) 2007-03-28 CN disclosed
EP-1727786-A1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES Photocure ASA (NO) 2006-12-06 EP disclosed
WO-2005092838-A1 ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES PHOTOCURE ASA (NO) 2005-10-06 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 (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-20080064752-A1 Acid Addition Salts Of-5-Aminolevulinic Acid Or Its Derivatives ALAD, AASDHPPT, ABAT LMNA 3222/4885ALDH1A1 793/4885MAPK1 1719/4885

“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.