SCHEMBL2190078

SCHEMBL2190078

O=C(O)[C@@H]1CCCO[C@H]1c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL2190081 1.00 L3MBTL1 (0.40) L3MBTL1GRK2CASP6CASP8CTDSP1
SCHEMBL2190076 1.00 L3MBTL1 (0.40) L3MBTL1GRK2CASP6CASP8CTDSP1
SCHEMBL22492141 0.87 AKR1C3 (0.43) L3MBTL1ALDH1A1CYP2C19TAAR1HPGD
SCHEMBL2187465 0.79 KMT2A (0.43) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL2187458 0.79 KMT2A (0.43) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL22492109 0.76 AKR1C3 (0.46) L3MBTL1ALDH1A1CYP2C19HTTHDAC4
SCHEMBL22492107 0.76 AKR1C3 (0.46) L3MBTL1ALDH1A1CYP2C19HTTHDAC4
SCHEMBL2189968 0.75 KDM1A (0.47) CYP2C9CYP2C19TAAR1NPC1KMT2A
SCHEMBL2189960 0.75 KDM1A (0.47) CYP2C9CYP2C19TAAR1NPC1KMT2A
SCHEMBL2189964 0.75 KDM1A (0.47) CYP2C9CYP2C19TAAR1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172297-A1 Oxopiperdinyl And Pyranyl Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2011-07-14 — — 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 (1 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-20110172297-A1 Oxopiperdinyl And Pyranyl Sulfonamides and Pharmaceutical Compositions Thereof GRIK5, GABRE, GRIK2 L3MBTL1 4856/4885GRK2 154/4885CASP6 4539/4885

“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.

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