SCHEMBL8400666

SCHEMBL8400666

CC(C)C(OS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
MMP3 P08254 1/20 0.38
CXCR2 P25025 2/20 0.33
CXCR1 P25024 1/20 0.33
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL29205828 1.00 MMP1 (0.38) MMP1MMP2MMP9MMP13MMP3
SCHEMBL1576184 0.82 CA14 (0.40) MMP1MMP2MMP9MMP13CXCR2
SCHEMBL5551942 0.80 CA12 (0.34) CXCR2CA1CA2
SCHEMBL8397971 0.80 POLB (0.36) MMP1MMP2MMP9MMP13MMP3
SCHEMBL8397975 0.80 POLB (0.36) MMP1MMP2MMP9MMP13MMP3
SCHEMBL31153798 0.80 CA12 (0.34) CXCR2CA1CA2
SCHEMBL1924669 0.78 CXCR2 (0.35) CXCR2CXCR1
SCHEMBL1768211 0.78 CXCR2 (0.35) CXCR2CXCR1
SCHEMBL1768213 0.78 CXCR2 (0.35) CXCR2CXCR1
SCHEMBL16754030 0.76 CYP2D6 (0.40) MMP1MMP2MMP3CXCR2CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-0918757-A1 8-HYDROCARBYL SUBSTITUTED BENZODIZOCINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN KINASE C (=PKC) MODULATORS GEORGETOWN UNIVERSITY (US) 1999-06-02 EP disclosed
WO-1997043268-A1 8-HYDROCARBYL SUBSTITUTED BENZODIZOCINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN KINASE C (=PKC) MODULATORS GEORGETOWN UNIVERSITY (US) 1997-11-20 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-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR MMP1 2192/4885MMP2 975/4885MMP9 971/4885

“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.