SCHEMBL3798489

SCHEMBL3798489

Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.43
KDR P35968 4/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DGAT1 O75907 2/20 0.39
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
LIPG Q9Y5X9 2/20 0.36
LPL P06858 1/20 0.36
P4HB P07237 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL19797952 0.88 GSK3A (0.41) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL30963226 0.84 DGAT1 (0.44) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL17464375 0.84 DGAT1 (0.44) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL21198942 0.82 GSK3A (0.42) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL29604376 0.82 GSK3A (0.42) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL3606221 0.81 GSK3A (0.44) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL20472729 0.81 ALPL (0.44) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL16077123 0.81 DGAT1 (0.40) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL29057877 0.80 PDGFRB (0.40) PDGFRBKDRGSK3AGSK3BDGAT1
SCHEMBL21352708 0.79 PDGFRB (0.46) PDGFRBKDRGSK3AGSK3BDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
US-11229638-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2022-01-25 US disclosed
WO-2021203023-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-11040033-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-06-22 US disclosed
US-11040033-B2 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. (US) 2021-06-22 US disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-10-08 US disclosed
EP-3672970-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2020-07-01 EP disclosed
US-20190192504-A1 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. 2019-06-27 US disclosed
US-20190192504-A1 Therapeutic heterocyclic compounds GILEAD SCIENCES, INC. 2019-06-27 US disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 WO disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 WO disclosed
EP-2872524-B1 3-SUBSTITUTED ESTRA-1,3,5(10),16-TETRAENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE THEREOF FOR THE PRODUCTION OF MEDICAMENTS Bayer Pharma AG (DE) 2016-08-24 EP disclosed
EP-2872524-A1 3-SUBSTITUTED ESTRA-1,3,5(10),16-TETRAENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE THEREOF FOR THE PRODUCTION OF MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2015-05-20 EP disclosed
WO-2014009274-A1 3-SUBSTITUTED ESTRA-1,3,5(10),16-TETRAENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE THEREOF FOR THE PRODUCTION OF MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-16 WO disclosed
WO-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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 (4 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-11229638-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 PDGFRB 2644/4885KDR 2793/4885GSK3A 3673/4885
US-20190192504-A1 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 PDGFRB 2644/4885KDR 2793/4885GSK3A 3673/4885
US-11040033-B2 Therapeutic heterocyclic compounds SDHA, CYP11B2, ABCB1 PDGFRB 2644/4885KDR 2793/4885GSK3A 3673/4885
US-20200316035-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, CYP11B2, ABCB1 PDGFRB 2644/4885KDR 2793/4885GSK3A 3673/4885

“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.