SCHEMBL20135484

SCHEMBL20135484

COc1cc(C(=O)O)ccc1C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA4 P22748 2/20 0.67
CA6 P23280 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
CA14 Q9ULX7 2/20 0.67
TPMT P51580 1/20 0.67
HTT P42858 2/20 0.62
TSHR P16473 3/20 0.62
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
TTR P02766 2/20 0.54
PKM P14618 3/20 0.53
CA3 P07451 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL20630742 0.89 KMT2A (0.57) CA12CA1CA2CA4CA6
SCHEMBL966378 0.89 CA12 (0.71) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL17667160 0.87 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL6636593 0.85 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL7284622 0.85 ALDH1A1 (0.61) CA12CA1CA2CA4CA6
SCHEMBL7019824 0.84 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL2427327 0.84 CA12 (0.70) CA12CA1CA2CA4CA6
SCHEMBL30221732 0.84 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL2406876 0.84 MAPT (0.60) CA12CA1CA2CA7CA9
SCHEMBL28450361 0.81 KMT2A (0.50) CA12CA1CA2CA4CA6

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 CA12 1365/4885CA1 1423/4885CA2 579/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CA12 1251/4885CA1 1245/4885CA2 470/4885

“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.