SCHEMBL20135545

SCHEMBL20135545

COCC(C)(C)C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SRD5A2 P31213 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXRA P19793 4/20 0.41
RXRB P28702 3/20 0.41
NR4A2 P43354 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
RXRG P48443 2/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
CA12 O43570 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39

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
SCHEMBL757100 0.87 CES1 (0.50) TSHRALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL20134987 0.84 CA1 (0.50) CA1CA2TSHRALDH1A1NPC1
SCHEMBL5471636 0.79 ALDH1A1 (0.52) CA1CA2TP53TSHRSRD5A2
SCHEMBL19262591 0.74 ALDH1A1 (0.47) CA1CA2TP53TSHRSRD5A2
SCHEMBL12472613 0.74 PARP15 (0.51) CA1CA2TP53TSHRSRD5A2
SCHEMBL1665113 0.73 TSHR (0.60) CA1CA2TP53TSHRSRD5A2
SCHEMBL31290857 0.73 CES1 (0.51) TSHRALDH1A1NPC1POLBRAB9A
Terephthalic Acid SCHEMBL11164993 0.72 TSHR (0.75) CA1CA2TP53TSHRSRD5A2
Terephthalic Acid SCHEMBL10332533 0.72 TSHR (0.75) CA1CA2TP53TSHRSRD5A2
SCHEMBL14845141 0.71 TSHR (0.57) CA1CA2TP53TSHRSRD5A2

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 CA1 1423/4885CA2 579/4885TP53 4082/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CA1 1245/4885CA2 470/4885TP53 3806/4885

“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.