SCHEMBL331257

SCHEMBL331257

CCCc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR6 P50406 2/20 0.45
METAP2 P50579 1/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.43
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 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
SCHEMBL31319048 1.00 KAT6A (0.50) KAT6ATSHRALDH1A1HSD17B10TDP1
SCHEMBL28032990 0.98 KAT6A (0.49) KAT6ATSHRALDH1A1HSD17B10TDP1
SCHEMBL9445888 0.89 LPL (0.50) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL28032889 0.88 LPL (0.49) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL6577837 0.86 LPL (0.58) CA2LPLLIPG
SCHEMBL29827063 0.86 LPL (0.58) CA2LPLLIPG
SCHEMBL6575806 0.86 LPL (0.58) CA2LPLLIPG
SCHEMBL6580835 0.86 LPL (0.58) CA2LPLLIPG
SCHEMBL30996485 0.86 LPL (0.58) CA2LPLLIPG
SCHEMBL28679052 0.86 LPL (0.58) CA2LPLLIPG

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11366392-B2 Photoresist remover compositions MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
US-11365379-B2 Photoresist remover compositions MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2022-06-21 US disclosed
US-20210115362-A1 PHOTORESIST REMOVER COMPOSITIONS MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2021-04-22 US disclosed
US-20210080833-A1 PHOTORESIST REMOVER COMPOSITIONS EMD PERFORMANCE MATERIALS CORPORATION 2021-03-18 US disclosed
CN-110709383-A Preparation method of (3R,4S) -3-acetamido-4-allyl-N- (tert-butyl) pyrrolidine-3-carboxamide 卡里塞拉生物科学股份公司 2020-01-17 CN disclosed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9139954-B2 Aqueous coloring composition for textile printing, textile printing method, and fabric FUJIFILM CORPORATION (JP) 2015-09-22 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20080274286-A1 INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-06 US disclosed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
US-20070219374-A1 Method of Producing Aminophenol Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1727782-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-12-06 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 WO disclosed
US-3985797-A Hydroxylation of aromatic compounds UOP INC. (US) 1976-10-12 US disclosed
US-3985796-A Hydroxylation of aromatic compounds UOP INC. (US) 1976-10-12 US disclosed
US-3931295-A Hydroxylation of aromatic compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-01-06 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 (5 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KAT6A 1208/4885TSHR 490/4885ALDH1A1 345/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 KAT6A 1208/4885TSHR 490/4885ALDH1A1 345/4885
US-20070219374-A1 Method of Producing Aminophenol Compounds PAH, CYP1A1, CYP1B1 KAT6A 2300/4885TSHR 1015/4885ALDH1A1 199/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KAT6A 1208/4885TSHR 490/4885ALDH1A1 345/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KAT6A 1208/4885TSHR 490/4885ALDH1A1 345/4885

“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.