SCHEMBL3034357

SCHEMBL3034357

C[C@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.55
▸ CA1 P00915 4/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MME P08473 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ MMP9 P14780 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL800946 1.00 SLC1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL7494382 1.00 SLC1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL9364831 0.91 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL9364838 0.91 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL16743934 0.87 ALDH1A1 (0.52) SLC1A1CA1CA2CA7CA9
SCHEMBL16743925 0.87 ALDH1A1 (0.52) SLC1A1CA1CA2CA7CA9
SCHEMBL27523288 0.86 SLC1A1 (0.50) SLC1A1CA1CA2CA7CA9
SCHEMBL16442369 0.86 SLC1A1 (0.53) SLC1A1CA1CA2CA7CA9
SCHEMBL6495348 0.86 SLC1A1 (0.53) SLC1A1CA1CA2CA7CA9
SCHEMBL21246536 0.86 ALDH1A1 (0.55) SLC1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 — — WO disclosed
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 — — US disclosed
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 — — US disclosed
US-7816401-B2 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 — — US disclosed
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 — — US disclosed
EP-1935893-A1 TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D Eisai R&D Management Co., Ltd. (JP) 2008-06-25 — — EP disclosed
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. 2008-01-24 — — 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 (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-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 SLC1A1 2975/4885CA1 4480/4885CA2 3864/4885
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD SLC1A1 4882/4885CA1 3657/4885CA2 3403/4885
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 SLC1A1 2975/4885CA1 4480/4885CA2 3864/4885
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD SLC1A1 1378/4885CA1 3346/4885CA2 4574/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD SLC1A1 4882/4885CA1 1280/4885CA2 2966/4885

“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.

Send feedback