SCHEMBL18547243

SCHEMBL18547243

O=S(=O)(c1cccc(O)c1)N1CC[CH]CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 4/20 0.50
TSHR P16473 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
PKLR P30613 1/20 0.49
MAPT P10636 1/20 0.49
IL1RN P18510 1/20 0.49
APEX1 P27695 1/20 0.48
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AKR1C3 P42330 2/20 0.47
GAA P10253 1/20 0.47
ESR2 Q92731 1/20 0.44
RECQL P46063 1/20 0.43

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
Hydrochloric Acid SCHEMBL7696017 0.85 ALDH1A1 (0.67) PKMALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7671596 0.82 TSHR (0.63) PKMALDH1A1SMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL7737656 0.81 PKM (0.61) PKMALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL295085 0.80 MBTD1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL27974975 0.80 ALDH1A1 (0.76) PKMALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7647149 0.80 PKM (0.59) PKMALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL24571882 0.80 PKM (0.59) PKMALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL31437044 0.80 PKM (0.59) PKMALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL17911174 0.80 MAPT (0.78) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL4037235 0.78 POLB (0.63) PKMALDH1A1SMN1; SMN2LMNATSHR

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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US 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 (3 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 PKM 1546/4885ALDH1A1 528/4885SMN1; SMN2 1950/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 PKM 1495/4885ALDH1A1 517/4885SMN1; SMN2 2009/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 PKM 1495/4885ALDH1A1 517/4885SMN1; SMN2 2009/4885

“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.