SCHEMBL6232709

SCHEMBL6232709

COc1ccc(C(SCC(=O)O)SCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
EPHX1 P07099 1/20 0.44
CNR2 P34972 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACP3 P15309 1/20 0.44
PDE4B Q07343 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL9016821 0.86 FFAR1 (0.47) FFAR1L3MBTL1LDHAKMT2AMAPT
SCHEMBL6231182 0.79 ACHE (0.50) L3MBTL1LDHAKMT2ACA1CA2
SCHEMBL6232946 0.77 ALKBH5 (0.53) FFAR1
SCHEMBL6232129 0.76 TSHR (0.57) KMT2ARAB9ANPSR1
SCHEMBL7607286 0.76 SERPINH1 (0.56) FFAR1L3MBTL1LDHAKMT2AMAPT
SCHEMBL12285363 0.75 L3MBTL1 (0.64) FFAR1L3MBTL1KMT2AMAPTPDE4B
SCHEMBL6230617 0.74 FFAR1 (0.49) FFAR1L3MBTL1LDHAKMT2AATM
SCHEMBL6484578 0.74 FFAR1 (0.66) FFAR1L3MBTL1LDHAKMT2AATM
SCHEMBL15312717 0.74 FFAR1 (0.55) FFAR1L3MBTL1LDHAKMT2AMAPT
SCHEMBL4255888 0.73 ALDH1A1 (0.72) FFAR1KMT2AMAPTCYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282397-B1 USE OF COMPOUNDS CONTAINING A THIO-ETHER, SULPHOXIDE OR SULPHONE FUNCTION AS COSMETIC ANTI-POLLUTION AGENT OREAL (FR) 2005-05-04 EP claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US claimed
EP-0858319-B1 USE OF CARBOXYLIC ACIDS HAVING A SULPHUR FUNCTION FOR PROMOTING SKIN EXFOLIATION OR STIMULATING EPIDERMAL REGENERATION OREAL (FR) 2003-07-23 EP claimed
US-6153649-A Use of carboxylic acids having a sulphur function for promoting skin exfoliation or stimulating epidermal regeneration L'OREAL (FR) 2000-11-28 US claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US disclosed
US-6153649-A Use of carboxylic acids having a sulphur function for promoting skin exfoliation or stimulating epidermal regeneration L'OREAL (FR) 2000-11-28 US disclosed
EP-0813425-A4 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORP (US) 1998-09-09 EP disclosed
US-5756685-A MEDICAL DIAGNOSIS; THERAPY NEORX CORPORATION (US) 1998-05-26 US disclosed
EP-0813425-A1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORPORATION (US) 1997-12-29 EP disclosed
US-5556982-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1996-09-17 US disclosed
WO-1995002423-A1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORPORATION (US) 1995-01-26 WO disclosed
US-5242679-A Complexes for imaging tumors NEORX CORPORATION (US) 1993-09-07 US disclosed
US-5175343-A For detection, radiotherapy and radeoimaging of tumors NEORX CORPORATION (US) 1992-12-29 US disclosed
US-5120526-A Chelate compounds NEORX CORPORATION (US) 1992-06-09 US disclosed
US-5037630-A Chelated polypeptides specific for tumors, improved imaging NEORX CORPORATION (US) 1991-08-06 US disclosed
US-5021556-A Method of radiolabeling chelating compounds comprising sulfur atoms with metal radionuclides NEORX CORPORATION (US) 1991-06-04 US disclosed
US-4897255-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1990-01-30 US disclosed
EP-0300431-A2 Method of radiolabeling chelating compounds comprising sulfur atoms with metal radionuclides NEORX CORPORATION (US) 1989-01-25 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-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent TST, STS, MPST FFAR1 2920/4885L3MBTL1 955/4885LDHA 3474/4885

“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.