SCHEMBL4836161

SCHEMBL4836161

CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA1 P00915 2/20 0.40
HCRTR2 O43614 10/20 0.38
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4836171 1.00 POLB (0.41) POLBCA12CA7CA14CA1
SCHEMBL4836163 1.00 POLB (0.41) POLBCA12CA7CA14CA1
SCHEMBL3228143 0.91 POLB (0.37) POLBCA12CA7CA14CA1
SCHEMBL15314096 0.85 ALDH1A1 (0.45) POLBCA12CA7CA14HCRTR2
SCHEMBL12017966 0.84 MMP2 (0.40) POLBCA12CA7CA14CA1
SCHEMBL5376182 0.84 MMP2 (0.40) POLBCA12CA7CA14CA1
SCHEMBL809996 0.84 CA1 (0.40) POLBCA12CA7CA14CA1
SCHEMBL5181981 0.84 CA1 (0.40) POLBCA12CA7CA14CA1
SCHEMBL12017953 0.84 MMP2 (0.40) POLBCA12CA7CA14CA1
SCHEMBL5182557 0.84 CA1 (0.40) POLBCA12CA7CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139404-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS Io Therapeutics, Inc. 2021-05-13 US disclosed
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2021-02-16 US disclosed
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2021-02-16 US disclosed
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-18 US disclosed
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-18 US disclosed
US-10590059-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2020-03-17 US disclosed
US-20190152888-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS Io Therapeutics, Inc. 2019-05-23 US disclosed
EP-1871752-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-01-02 EP disclosed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 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 (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-20190152888-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA POLB 1456/4885CA12 3583/4885CA7 2868/4885
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA POLB 1456/4885CA12 3583/4885CA7 2868/4885
US-10590059-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA POLB 1456/4885CA12 3583/4885CA7 2868/4885
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA POLB 1456/4885CA12 3583/4885CA7 2868/4885
US-20210139404-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA POLB 1456/4885CA12 3583/4885CA7 2868/4885

“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.