SCHEMBL7423952

SCHEMBL7423952

CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4PARP1PARP2PARP3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
F2 P00734 2/20 0.66
PRSS1 P07477 2/20 0.66
PRSS2 P07478 2/20 0.66
PRSS3 P35030 2/20 0.66
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA5A P35218 5/20 0.53
CA5B Q9Y2D0 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL28550247 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL26058 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL30481552 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL106811 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL60288 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL412452 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL585645 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL17024352 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL17419427 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL30233530 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066409-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2021-07-20 US disclosed
US-20200048257-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2020-02-13 US disclosed
US-20190227433-A1 ACID GENERATORS AND PHOTORESISTS COMPRISING SAME ROHM & HAAS ELECT MAT (US) 2019-07-25 US disclosed
US-20190204742-A1 PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2019-07-04 US disclosed
US-10248020-B2 Acid generators and photoresists comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-04-02 US disclosed
US-9606434-B2 Polymer comprising repeat units with photoacid-generating functionality and base-solubility-enhancing functionality, and associated photoresist composition and electronic device forming method ROHM AND HAAS ELECTRONIC MATERIALS, LLC (US) 2017-03-28 US disclosed
US-9581904-B2 Photoresist overcoat compositions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-02-28 US disclosed
US-9557642-B2 Photoresist composition and associated method of forming an electronic device ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-01-31 US disclosed
US-9551930-B2 Photoresist composition and associated method of forming an electronic device ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-01-24 US disclosed
US-9470976-B2 2016-10-18 US disclosed
US-20160122574-A1 PHOTORESIST OVERCOAT COMPOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-05-05 US disclosed
US-20160124309-A1 PATTERN FORMATION METHODS ROHM & HAAS ELECT MAT (US) 2016-05-05 US disclosed
US-20160103391-A1 PHOTORESIST COMPOSITION AND ASSOCIATED METHOD OF FORMING AN ELECTRONIC DEVICE U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-04-14 US disclosed
US-20160103392-A1 PHOTORESIST COMPOSITION AND ASSOCIATED METHOD OF FORMING AN ELECTRONIC DEVICE U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-04-14 US disclosed
US-20160102158-A1 POLYMER COMPRISING REPEAT UNITS WITH PHOTOACID-GENERATING FUNCTIONALITY AND BASE-SOLUBILITY-ENHANCING FUNCTIONALITY, AND ASSOCIATED PHOTORESIST COMPOSITION AND ELECTRONIC DEVICE FORMING METHOD U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-04-14 US disclosed
US-20150346599-A1 PHOTO-DESTROYABLE QUENCHER AND ASSOCIATED PHOTORESIST COMPOSITION, AND DEVICE-FORMING METHOD ROHM AND HAAS ELECTRONIC MATERIALS LLC 2015-12-03 US disclosed
US-20140186767-A1 ACID GENERATORS AND PHOTORESISTS COMPRISING SAME ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-07-03 US disclosed
US-5917034-A Antithrombotic n-amidinopiperidine and benzamidine derivatives PFIZER INC. (US) 1999-06-29 US disclosed
EP-0858458-A1 ANTITHROMBOTIC N-AMIDINOPIPERIDINE AND BENZAMIDINE DERIVATIVES Pfizer Limited (GB) 1998-08-19 EP disclosed
WO-1997016444-A1 ANTITHROMBOTIC N-AMIDINOPIPERIDINE AND BENZAMIDINE DERIVATIVES PFIZER LIMITED (GB) 1997-05-09 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 (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-20200048257-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX7, P2RX2, P2RX5 KMT2A 3767/4885F2 4003/4885PRSS1 3303/4885
US-11066409-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same P2RX7, P2RX2, P2RX5 KMT2A 3767/4885F2 4003/4885PRSS1 3303/4885
US-20150346599-A1 PHOTO-DESTROYABLE QUENCHER AND ASSOCIATED PHOTORESIST COMPOSITION, AND DEVICE-FORMING METHOD CBR3, RB1, C1R KMT2A 879/4885F2 525/4885PRSS1 479/4885

“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.