SCHEMBL3216571

SCHEMBL3216571

Cc1ccc(S(=O)(=O)N=C2CCCc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ MAPT P10636 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ PLA2G1B P04054 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ GAA P10253 3/20 0.45
▸ NSD2 O96028 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL27556866 0.80 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL6081531 0.80 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL2353093 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL15082846 0.70 ALDH1A1 (0.85) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL10813242 0.70 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL10998010 0.70 ALDH1A1 (0.85) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL10968040 0.70 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL17540297 0.70 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL2068814 0.69 L3MBTL1 (0.60) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL12911265 0.69 L3MBTL1 (0.60) ALDH1A1MAPTL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-03-18 — — US disclosed
CN-100584460-C Catalyst for asymmetric (transfer) hydrogenation DSM IP ASSETS BV 2010-01-27 — — CN disclosed
CN-1974010-A Catalyst for asymmetric (transfer) hydrogenation DSM IP ASSETS BV (NL) 2007-06-06 — — CN disclosed
EP-1325013-B1 CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION DSM IP ASSETS BV (NL) 2006-09-13 — — EP disclosed
CN-1827214-A Catalyst for asymmetric (transfer) hydrogenation DSM IP ASSETS BV (NL) 2006-09-06 — — CN disclosed
EP-0901996-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES MITSUI CHEMICALS INC (JP) 2006-02-01 — — EP disclosed
US-6989461-B2 Catalyst for asymmetric (transfer) hydrogenation DSM IP ASSETS B.V. (NL) 2006-01-24 — — US disclosed
US-20030199713-A1 Catalyst for asymmetric (transfer) hydrogenation JLL/DELTA DUTCH NEWCO B.V. (NL) 2003-10-23 — — US disclosed
EP-1325013-A2 CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION DSM N.V. (NL) 2003-07-09 — — EP disclosed
WO-2002004466-A2 CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION DSM N.V. (NL) 2002-01-17 — — WO disclosed
US-6222072-B1 RACTING IMINE WITH HYDRIDE REAGENT IN PRESENCE OF OPTICALLY ACTIVE METAL COMPOUND, WHEREIN HYDRIDE REAGENT IS A METAL HYDRIDE, REAGENT THAT UNDERGOES METAL EXCHANGE, METAL TRIALKOXY HYDRIDE COMPLEX OR METAL(TRICARBOXYLIC ACID)HYDRIDE MITSUI CHEMICALS INC. (JP) 2001-04-24 — — US disclosed
EP-0901996-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES Mitsui Chemicals, Inc. (JP) 1999-03-17 — — 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-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS PDHB, ME1, PDHA1 ALDH1A1 102/4885MAPT 4861/4885L3MBTL1 2465/4885
US-20030199713-A1 Catalyst for asymmetric (transfer) hydrogenation MLX, ACSL3, MSL1 ALDH1A1 2008/4885MAPT 4501/4885L3MBTL1 295/4885

“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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