SCHEMBL2136038

SCHEMBL2136038

CCCCC(S)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
CPB2 Q96IY4 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 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
SCHEMBL2136155 0.93 ZDHHC7 (0.46) CA2CA1CPB2ZDHHC7
SCHEMBL11127914 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL28043271 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL27675788 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL8648692 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL6306411 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL27459133 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL10889697 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL9554974 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7
SCHEMBL8362179 0.91 ZDHHC7 (0.48) CA2CPB2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501647-A Rubber composition and the pneumatic tire with the tyre surface formed by the rubber composition 住友橡胶工业株式会社 2017-12-22 CN disclosed
CN-106916349-A Rubber composition and the pneumatic tire with the tyre surface produced using the rubber composition 住友橡胶工业株式会社 2017-07-04 CN disclosed
CN-105315523-A RUBBER COMPOSITION AND PNEUMATIC TIRE HAVING TREAD MANUFACTURED FROM SAID RUBBER COMPOSITION SUMITOMO RUBBER IND 2016-02-10 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
CN-102471252-A Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2012-05-23 CN disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed
US-4489013-A Preparation of α-oxo-α-(3-alkoxycarbonyl-2,2-dimethyl-cycloprop-1-yl)-methane-phosphonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1984-12-18 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 CA2 737/4885CA1 617/4885CPB2 2545/4885

“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.