SCHEMBL20135407

SCHEMBL20135407

CCC1(c2ccc(C(=O)O)cc2OC)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TPMT P51580 1/20 0.47
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
TTR P02766 2/20 0.40
ADAM17 P78536 2/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PKM P14618 2/20 0.38

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
SCHEMBL20135314 0.90 TSHR (0.45) TSHRCA12CA1CA2CA4
SCHEMBL20135218 0.82 LMNA (0.39) HTTLMNAMAPK1RAB9AADAM17
SCHEMBL29688481 0.81 CA12 (0.50) TSHRCA12CA1CA2CA4
SCHEMBL20134984 0.81 CA12 (0.50) TSHRCA12CA1CA2CA4
SCHEMBL20135032 0.78 CA12 (0.47) TSHRCA12CA1CA2CA4
SCHEMBL20134968 0.78 CA12 (0.47) TSHRCA12CA1CA2CA4
SCHEMBL20135157 0.77 CA12 (0.46) TSHRCA12CA1CA2CA4
SCHEMBL20135528 0.76 CA12 (0.44) TSHRCA12CA1CA2CA4
SCHEMBL20134809 0.76 ADAM17 (0.44) TSHRADAM17MMP13ADAMTS5MMP2
SCHEMBL20135025 0.76 ADAM17 (0.44) TSHRADAM17MMP13ADAMTS5MMP2

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 3522/4885CA12 1365/4885CA1 1423/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TSHR 3141/4885CA12 1251/4885CA1 1245/4885

“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.