SCHEMBL20135641

SCHEMBL20135641

O=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C(F)F)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39
METAP1 P53582 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CACNA1F O60840 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
CACNA1D Q01668 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL20134939 0.86 AKR1B1 (0.40) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL20134941 0.86 AKR1B1 (0.40) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL20135221 0.86 AKR1B1 (0.40) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL11411411 0.76 CYP2C9 (0.63) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL4308515 0.73 MEN1 (0.55) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL20134880 0.73 MEN1 (0.55) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL20134898 0.73 ADAMTS5 (0.41) TSHRTP53MMP2MMP13
SCHEMBL20135162 0.73 SRD5A2 (0.38) TSHRTP53METAP1AKR1B1ALDH1A1
SCHEMBL20134918 0.72 CYP2C9 (0.73) TSHRTP53AKR1B1ALDH1A1CACNA1F
SCHEMBL20135356 0.72 AKR1B1 (0.36) AKR1B1ALDH1A1CACNA1FMAPTCYP2C9

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 6 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-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
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 4082/4885METAP1 439/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TSHR 3141/4885TP53 3806/4885METAP1 429/4885

“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.