SCHEMBL331654

SCHEMBL331654

CCc1cccc(S([O])(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KAT6A Q92794 1/20 0.45
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MGLL Q99685 1/20 0.42
TP53 P04637 2/20 0.41
CA2 P00918 1/20 0.41
HTR6 P50406 1/20 0.41
FBP1 P09467 1/20 0.40
PSIP1 O75475 1/20 0.40
METAP2 P50579 1/20 0.40
CYP19A1 P11511 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
SCHEMBL12051265 0.85 LOXL2 (0.55) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL331256 0.84 KAT6A (0.48) NPC1RAB9AKAT6ATNFNOD1
SCHEMBL10066425 0.83 PSIP1 (0.56) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL8233359 0.83 ALDH1A1 (0.47) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL29626454 0.82 TSHR (0.52) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL4254023 0.82 LOXL2 (0.46) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL958043 0.82 ALDH1A1 (0.46) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL2005567 0.82 CA2 (0.61) LOXL2CA2
SCHEMBL331655 0.82 TSHR (0.52) LOXL2NPC1RAB9AMAPTALDH1A1
SCHEMBL23202540 0.80 LMNA (0.47) LOXL2NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103613527-B N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-02-24 CN disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
CN-103613587-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN disclosed
CN-103613527-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN disclosed
EP-1881975-B1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2014-01-08 EP disclosed
US-7750156-B2 Method of producing aminophenol compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
CN-100478325-C Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2009-04-15 CN 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
CN-101175748-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN 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
CN-1938261-A Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2007-03-28 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 LOXL2 4496/4885NPC1 701/4885RAB9A 503/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 LOXL2 4496/4885NPC1 701/4885RAB9A 503/4885
US-20070219374-A1 Method of Producing Aminophenol Compounds PAH, CYP1A1, CYP1B1 LOXL2 2186/4885NPC1 4076/4885RAB9A 4219/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LOXL2 4496/4885NPC1 701/4885RAB9A 503/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LOXL2 4496/4885NPC1 701/4885RAB9A 503/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LOXL2 4496/4885NPC1 701/4885RAB9A 503/4885

“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.