SCHEMBL20135167

SCHEMBL20135167

O=C(O)c1ccc(C(=O)C(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
TP53 P04637 1/20 0.60
SRD5A2 P31213 4/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
KMT2A Q03164 1/20 0.48
BCL2L1 Q07817 1/20 0.48

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
SCHEMBL1492635 0.82 CES1 (0.57) TSHRCES2CES1CA1CA2
Terephthalic Acid SCHEMBL3163866 0.81 TSHR (0.92) TSHRTP53SRD5A2CES2CES1
SCHEMBL31191256 0.80 CES2 (0.64) CES2CES1CA1CA2KMT2A
SCHEMBL24408904 0.78 GSK3B (0.61) CES2CES1CA1CA2TPMT
SCHEMBL9732502 0.78 CES2 (0.61) SRD5A2CES2CES1CA2KMT2A
SCHEMBL11430 0.78 CES2 (0.61) CES2CES1CA1CA2CA12
Terephthalic Acid SCHEMBL175823 0.78 TSHR (1.00) TSHRTP53SRD5A2CES2CES1
Terephthalic Acid SCHEMBL1655 0.78 TSHR (1.00) TSHRTP53SRD5A2CES2CES1
Terephthalic Acid SCHEMBL2511919 0.78 TSHR (1.00) TSHRTP53SRD5A2CES2CES1
Terephthalic Acid SCHEMBL5053781 0.78 TSHR (1.00) TSHRTP53SRD5A2CES2CES1

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 TSHR 3522/4885TP53 4082/4885SRD5A2 2668/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TSHR 3141/4885TP53 3806/4885SRD5A2 2568/4885

“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.