SCHEMBL9911546

SCHEMBL9911546

CC(C)C(=O)Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.51
PKM P14618 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SHBG P04278 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPK1 P28482 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
CYP1A2 P05177 1/20 0.45
LMNA P02545 1/20 0.45
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21100044 0.85 CYP1A2 (0.52) CTBP2ALDH1A1CYP1A2KMT2A
SCHEMBL26763778 0.81 SLC6A2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL9911547 0.80 AKR1B1 (0.59) SMN1; SMN2ALDH1A1MAPK1CYP1A2LMNA
SCHEMBL265672 0.79 CTBP2 (0.55) CTBP2PKMNPC1RAB9ASHBG
SCHEMBL13875305 0.79 PTGS2 (0.71) MAPK1LMNAKMT2A
SCHEMBL6194349 0.79 CTBP2 (0.58) CTBP2PKMNPC1RAB9ASHBG
SCHEMBL31365969 0.79 CTBP2 (0.58) CTBP2PKMNPC1RAB9ASHBG
SCHEMBL6299980 0.78 EPHX1 (0.53) MAPK1CYP1A2IDO1
SCHEMBL23619805 0.78 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1KCNJ5
SCHEMBL12158563 0.78 CTBP2 (0.53) CTBP2NPC1SHBGALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
WO-2021104486-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-06-03 WO disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (8 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTBP2 2470/4885PKM 3874/4885NPC1 65/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTBP2 2470/4885PKM 3874/4885NPC1 65/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CTBP2 3578/4885PKM 564/4885NPC1 128/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTBP2 2470/4885PKM 3874/4885NPC1 65/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTBP2 2470/4885PKM 3874/4885NPC1 65/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CTBP2 4187/4885PKM 1942/4885NPC1 792/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 CTBP2 372/4885PKM 3676/4885NPC1 633/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTBP2 2470/4885PKM 3874/4885NPC1 65/4885

“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.