SCHEMBL2135231

SCHEMBL2135231

CCCOC(=O)C(S)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CHRM1 P11229 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL2134483 0.86 ALDH1A1 (0.52) HCAR2ALDH1A1TDP1LMNATSHR
SCHEMBL2135548 0.86 CA2 (0.44) HCAR2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL2135989 0.86 HCAR2 (0.39) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL2137510 0.85 ZDHHC7 (0.44) ALDH1A1CA1CA2ZDHHC7
SCHEMBL2134188 0.83 ALDH1A1 (0.43) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL2135774 0.83
SCHEMBL7704460 0.83 HDAC1 (0.39) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL2145419 0.81
SCHEMBL29091247 0.81
SCHEMBL2131658 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229483-B PLA (polylactic acid) nano composite material and preparation method thereof 中国科学院化学研究所 2021-06-08 CN disclosed
CN-110229401-B PE nano composite material and preparation method thereof 中国科学院化学研究所 2021-05-04 CN disclosed
CN-110229400-B PE nano composite material and preparation method thereof 中国科学院化学研究所 2021-04-30 CN disclosed
CN-110229472-B PBT (polybutylene terephthalate) nano composite material and preparation method thereof 中国科学院化学研究所 2021-02-26 CN disclosed
CN-110229473-B PET (polyethylene terephthalate) nano composite material and preparation method thereof 中国科学院化学研究所 2021-01-26 CN disclosed
CN-110229484-B PLA (polylactic acid) nano composite material and preparation method thereof 中国科学院化学研究所 2021-01-26 CN disclosed
CN-110229474-B PBT (polybutylene terephthalate) nano composite material and preparation method thereof 中国科学院化学研究所 2021-01-26 CN disclosed
CN-102471252-B Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2014-07-02 CN disclosed
CN-103709079-A Process for preparation of (fluoroalkylthio)acetic acid esters MASAJI HIROTA HIROYUKI MIYAZAKI TADAYOSHI ITOH 2014-04-09 CN disclosed
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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 (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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 HDAC1 1949/4885HDAC2 3301/4885HDAC7 3654/4885

“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.