SCHEMBL4534271

SCHEMBL4534271

C[C@H](NC(=O)O)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A3 Q01959 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
P2RX1 P51575 2/20 0.41
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
RXRA P19793 2/20 0.40

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
SCHEMBL22344680 1.00 CES2 (0.48) CES2NPSR1TACR1ALDH1A1USP2
SCHEMBL22344614 0.91 SLC6A3 (0.51) CES2NPSR1TACR1ALDH1A1USP2
SCHEMBL835940 0.83 GSK3B (0.54) CES2NPSR1CYP3A4CYP2C9CYP1A2
SCHEMBL15927549 0.81 NPSR1 (0.41) CES2NPSR1USP2CYP3A4CYP2C9
SCHEMBL12190808 0.78 CES2 (0.59) CES2NPSR1TACR1ALDH1A1USP2
SCHEMBL18989389 0.78 TACR1 (0.50) CES2NPSR1TACR1ALDH1A1HDAC8
SCHEMBL3305385 0.77 SLC6A3 (0.62) CES2ALDH1A1SLC6A3
SCHEMBL1226538 0.77 SLC6A3 (0.62) CES2ALDH1A1SLC6A3
SCHEMBL31114006 0.77 NPSR1 (0.53) CES2NPSR1TACR1ALDH1A1HDAC8
SCHEMBL19555184 0.77 NPSR1 (0.53) CES2NPSR1TACR1ALDH1A1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402777-B1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME (US) 2023-12-13 EP disclosed
US-11738010-B2 Oxazolidinones as TarO inhibitors MERCK SHARP & DOHME CORP. (US) 2023-08-29 US disclosed
US-20210346364-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-11 US disclosed
US-11141410-B2 Oxazolidinones as taro inhibitors MERCK SHARP & DOHME CORP (US) 2021-10-12 US disclosed
US-20200261436-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP CES2 127/4885NPSR1 3275/4885TACR1 3361/4885
US-20210346364-A1 OXAZOLIDINONES AS TARO INHIBITORS OXA1L, DDO, ALPI CES2 3369/4885NPSR1 3579/4885TACR1 4712/4885
US-20200261436-A1 OXAZOLIDINONES AS TARO INHIBITORS OXA1L, DDO, ALPI CES2 3369/4885NPSR1 3579/4885TACR1 4712/4885
US-11141410-B2 Oxazolidinones as taro inhibitors OXA1L, DDO, ALPI CES2 3369/4885NPSR1 3579/4885TACR1 4712/4885
US-11738010-B2 Oxazolidinones as TarO inhibitors OXA1L, DDO, ALPI CES2 3369/4885NPSR1 3579/4885TACR1 4712/4885

“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.