SCHEMBL585744

SCHEMBL585744

Cc1ccc(B(O)O)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.47
TSHR P16473 1/20 0.43
CA2 P00918 2/20 0.41
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
CA1 P00915 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TTR P02766 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
SCHEMBL3267439 0.84 ENPP2 (0.47) ENPP2TSHRCA2LPLLIPG
SCHEMBL29953195 0.84 ENPP2 (0.47) ENPP2TSHRCA2LPLLIPG
SCHEMBL16186352 0.81 CA2 (0.47) ENPP2CA2LPLLIPGCA1
SCHEMBL15156401 0.81 ENPP2 (0.52) ENPP2TSHRCA2CA1TTR
SCHEMBL3953042 0.78 TSHR (0.43) ENPP2TSHRCA2CA1
SCHEMBL13139989 0.78 ENPP2 (0.48) ENPP2CA2CA1TTR
SCHEMBL247641 0.76 ENPP2 (0.47) ENPP2CA2CA1
SCHEMBL29955494 0.76 ENPP2 (0.47) ENPP2CA2CA1TTR
SCHEMBL473832 0.76 ENPP2 (0.47) ENPP2CA2CA1TTR
SCHEMBL28448827 0.76 ENPP2 (0.47) ENPP2TSHRCA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134116-A1 CONJUGATES FOR SELECTIVE RESPONSIVENESS TO VICINAL DIOLS PROTOMER TECHNOLOGIES, INC. 2023-05-04 US disclosed
US-20230134116-A1 CONJUGATES FOR SELECTIVE RESPONSIVENESS TO VICINAL DIOLS PROTOMER TECHNOLOGIES, INC. 2023-05-04 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210369815-A1 GLUCOSE RESPONSIVE INSULINS PROTOMER TECHNOLOGIES, INC. 2021-12-02 US disclosed
US-11052133-B2 Glucose responsive insulins PROTOMER TECHNOLOGIES, INC. (US) 2021-07-06 US disclosed
US-10941171-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-09 US disclosed
US-20200399282-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 US disclosed
WO-2019158572-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
US-20190247468-A1 GLUCOSE RESPONSIVE INSULINS PROTOMER TECHNOLOGIES, INC. 2019-08-15 US disclosed
US-20190153008-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-05-23 US disclosed
EP-2417140-A1 INHIBITORS OF HIV REPLICATION Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP disclosed
EP-1863802-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (10 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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE ENPP2 2338/4885TSHR 824/4885CA2 465/4885
US-11052133-B2 Glucose responsive insulins GLP1R, GPR119, IAPP ENPP2 282/4885TSHR 76/4885CA2 3108/4885
US-20190247468-A1 GLUCOSE RESPONSIVE INSULINS GLP1R, GPR119, IAPP ENPP2 282/4885TSHR 76/4885CA2 3108/4885
US-20200399282-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 ENPP2 147/4885TSHR 1171/4885CA2 549/4885
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO ENPP2 487/4885TSHR 3147/4885CA2 2808/4885
US-20190153008-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 ENPP2 4618/4885TSHR 3162/4885CA2 3952/4885
US-20230134116-A1 CONJUGATES FOR SELECTIVE RESPONSIVENESS TO VICINAL DIOLS GPR119, GLP1R, IAPP ENPP2 995/4885TSHR 631/4885CA2 233/4885
US-20210369815-A1 GLUCOSE RESPONSIVE INSULINS GLP1R, GPR119, IAPP ENPP2 282/4885TSHR 76/4885CA2 3108/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 ENPP2 3362/4885TSHR 4167/4885CA2 4448/4885
US-10941171-B2 Organometallic compound and organic light-emitting device including the same CRY1, LEF1, POU2F1 ENPP2 4618/4885TSHR 3162/4885CA2 3952/4885

“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.