SCHEMBL4815957

SCHEMBL4815957

O=C(O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.78
TSHR P16473 1/20 0.58
YAP1 P46937 1/20 0.58
TEAD4 Q15561 1/20 0.58
GAA P10253 2/20 0.55
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 4/20 0.54
GPR183 P32249 1/20 0.54
LMNA P02545 3/20 0.53
MEN1 O00255 3/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL7356750 1.00 USP2 (0.78) USP2TSHRYAP1TEAD4GAA
SCHEMBL4892974 0.89 USP2 (0.62) USP2TSHRYAP1TEAD4GAA
SCHEMBL21800691 0.85 USP2 (0.57) USP2TSHRYAP1TEAD4GAA
SCHEMBL5949555 0.85 TSHR (0.61) USP2TSHRYAP1TEAD4GAA
SCHEMBL5949547 0.85 TSHR (0.61) USP2TSHRYAP1TEAD4GAA
SCHEMBL21800682 0.82 GAA (0.69) USP2YAP1TEAD4GAAALDH1A1
SCHEMBL7359376 0.81 USP2 (0.67) USP2TSHRYAP1TEAD4GAA
SCHEMBL4812606 0.81 USP2 (0.67) USP2TSHRYAP1TEAD4GAA
SCHEMBL21800713 0.80 EPHX2 (0.55) USP2TSHRYAP1TEAD4KMT2A
SCHEMBL7222883 0.79 TSHR (0.71) TSHRYAP1TEAD4GAAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 US disclosed
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1109787-B1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-09-02 US disclosed
US-6734184-B1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 WO 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-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) MMP13, MMP25, MMP3 USP2 1877/4885TSHR 2604/4885YAP1 3549/4885
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY CS, SLC2A1, SLC2A2 USP2 2643/4885TSHR 900/4885YAP1 2208/4885

“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.