SCHEMBL1648801

SCHEMBL1648801

NS(=O)(=O)C1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 5/20 0.52
APLNR P35414 2/20 0.52
CA7 P43166 3/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
EPHX1 P07099 1/20 0.35
LOXL2 Q9Y4K0 3/20 0.34
LOX P28300 1/20 0.34
CA9 Q16790 2/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
EPHX2 P34913 1/20 0.31

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
SCHEMBL393197 1.00 CA1 (0.52) CA1CA2APLNRCA7CA12
SCHEMBL19479300 1.00 CA1 (0.52) CA1CA2APLNRCA7CA12
SCHEMBL21943788 1.00 CA1 (0.52) CA1CA2APLNRCA7CA12
SCHEMBL1649129 1.00 CA1 (0.52) CA1CA2APLNRCA7CA12
SCHEMBL19066054 1.00 CA1 (0.52) CA1CA2APLNRCA7CA12
SCHEMBL14462832 1.00 CA1 (0.52) CA1CA2APLNRCA7CA12
Hydrochloric Acid SCHEMBL21598754 0.97 CA1 (0.50) CA1CA2APLNRCA7CA12
SCHEMBL244348 0.97
Hydrochloric Acid SCHEMBL29086421 0.94 APLNR (0.52) CA1CA2APLNRCA7CA12
SCHEMBL636980 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
US-20230082516-A1 15-PGDH INHIBITOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2023-03-16 US disclosed
US-11299513-B2 Cyclative release of peptidic compounds CIRCLE PHARMA, INC. (US) 2022-04-12 US disclosed
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
EP-3917911-A1 15-PGDH INHIBITORS Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-08 EP disclosed
CN-113226310-A 15-PGDH inhibitors 杏林制药株式会社 2021-08-06 CN disclosed
WO-2020223551-A1 INHIBITING OTUB1 INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-05 WO disclosed
WO-2020160151-A1 15-PGDH INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-08-06 WO disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed
US-20200207803-A1 CYCLATIVE RELEASE OF PEPTIDIC COMPOUNDS CIRCLE PHARMA, INC. 2020-07-02 US disclosed
US-20130023563-A1 AMIDINOANILINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2013-01-24 US disclosed
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-20110172416-A1 AMIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2011-07-14 US disclosed
EP-2311810-A1 AMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2011-04-20 EP disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
CN-101076519-A Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL IND LTD (JP) 2007-11-21 CN disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 EP 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-20230082516-A1 15-PGDH INHIBITOR UGDH, HPGD, GCDH CA1 3243/4885CA2 1328/4885APLNR 3207/4885
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CA1 2306/4885CA2 1771/4885APLNR 3129/4885
US-11299513-B2 Cyclative release of peptidic compounds VIP, FURIN, PTMS CA1 347/4885CA2 1605/4885APLNR 354/4885
US-20130023563-A1 AMIDINOANILINE DERIVATIVE F11, SERPINC1, F8 CA1 2563/4885CA2 1963/4885APLNR 1113/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 CA1 4255/4885CA2 3239/4885APLNR 3214/4885
US-20110172416-A1 AMIDINE DERIVATIVE SERPINC1, F12, F11 CA1 2911/4885CA2 1781/4885APLNR 449/4885
US-20200207803-A1 CYCLATIVE RELEASE OF PEPTIDIC COMPOUNDS VIP, FURIN, PTMS CA1 347/4885CA2 1605/4885APLNR 354/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CA1 2306/4885CA2 1771/4885APLNR 3129/4885

“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.