SCHEMBL5286994

SCHEMBL5286994

CC(C)Cc1cc(C(=O)O)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.52
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
PTPN1 P18031 3/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
DCLK1 O15075 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37

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
SCHEMBL30043569 0.84 POLB (0.41) HCAR2ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL5294951 0.81 RAB9A (0.40) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL597064 0.79 HCAR2 (0.57) HCAR2ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL29224469 0.79 HCAR2 (0.44) HCAR2ALDH1A1GAAPTPN1
SCHEMBL18973200 0.77 HCAR2 (0.53) HCAR2ALDH1A1POLBGAAPTPN1
SCHEMBL2530338 0.76 HCAR2 (0.53) HCAR2ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL5297276 0.76 VHL (0.42) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL5287519 0.76 RAB9A (0.34) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL554742 0.75 SMN1; SMN2 (0.57) HCAR2ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL11899767 0.75 HCAR2 (0.52) HCAR2RAB9ASMN1; SMN2POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919888-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-03-05 US disclosed
US-20230312537-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-05 US disclosed
US-20230312537-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-05 US disclosed
US-20230312537-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-05 US disclosed
US-11634413-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-04-25 US disclosed
US-11634413-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-04-25 US disclosed
US-20220106300-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-04-07 US disclosed
US-20220106300-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-04-07 US disclosed
US-11124502-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-09-21 US disclosed
US-11124502-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-09-21 US disclosed
US-20140045906-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2014-02-13 US disclosed
US-20140045906-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2014-02-13 US disclosed
US-20140045906-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2014-02-13 US disclosed
WO-2014025891-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-02-13 WO disclosed
WO-2012109100-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-16 WO disclosed
US-20120202856-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
US-20120202856-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
US-20120202856-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (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-20120202856-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 HCAR2 543/4885ALDH1A1 1861/4885MAPK1 2197/4885
US-20140045906-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HCAR2 658/4885ALDH1A1 2776/4885MAPK1 1342/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HCAR2 3637/4885ALDH1A1 2972/4885MAPK1 3183/4885
US-20220106300-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HCAR2 658/4885ALDH1A1 2776/4885MAPK1 1342/4885
US-11634413-B2 Neprilysin inhibitors MME, REN, ACE HCAR2 658/4885ALDH1A1 2776/4885MAPK1 1342/4885
US-11124502-B2 Neprilysin inhibitors MME, REN, ACE HCAR2 658/4885ALDH1A1 2776/4885MAPK1 1342/4885
US-20230312537-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HCAR2 658/4885ALDH1A1 2776/4885MAPK1 1342/4885
US-11919888-B2 Neprilysin inhibitors MME, REN, ACE HCAR2 658/4885ALDH1A1 2776/4885MAPK1 1342/4885

“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.