SCHEMBL6236738

SCHEMBL6236738

CCCCCCCCCCCCCC[N+](C)(C)CCS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
DNM1 Q05193 12/20 0.58
KMT2A Q03164 1/20 0.50
HSP90AA1 P07900 2/20 0.48
RAD52 P43351 2/20 0.48
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL6238905 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL6238274 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL16604562 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL10932296 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL6234110 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL10933953 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL10937742 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL6236875 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL6236479 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL10975956 0.92 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed
CN-1125880-C Method for processing mycobacteria INTEGRATED RES TECH PLC (US) 2003-10-29 CN claimed
CN-1150460-A Method for processing mycobacteria CORNING CLINICAL LAB INC (US) 1997-05-21 CN claimed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 US disclosed
US-20160016981-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE GLYCOREGIMMUNE, INC. (US) 2016-01-21 US disclosed
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US 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-20160016981-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE AADAT, AASDHPPT, ASS1 HTT 3289/4885DNM1 2791/4885KMT2A 2089/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 HTT 4263/4885DNM1 3773/4885KMT2A 411/4885

“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.