SCHEMBL18800980

SCHEMBL18800980

CC(C)(C)C(=O)N1C(O)[C@H](O)C[C@H]1Cc1ccc(-c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.39
▸ MMEL1 Q495T6 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ LTB4R Q15722 5/20 0.34
▸ LTB4R2 Q9NPC1 5/20 0.34
▸ S1PR2 O95136 2/20 0.34
▸ S1PR4 O95977 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.33
▸ MME P08473 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
SCHEMBL21310317 0.84 GRM2 (0.40) RORCLTB4RLTB4R2
SCHEMBL14900588 0.81 RORC (0.39) RORCMMEL1CXCR3FFAR4LTB4R
SCHEMBL14900465 0.78 RORC (0.40) RORCMMEL1S1PR2S1PR4MEN1
SCHEMBL18724747 0.73 FFAR4 (0.39) FFAR4LTB4RLTB4R2MME
SCHEMBL16939239 0.73 FFAR4 (0.39) FFAR4LTB4RLTB4R2MME
SCHEMBL18027484 0.71 FFAR4 (0.39) RORCFFAR4LTB4RLTB4R2MME
SCHEMBL16939237 0.70 CHRM3 (0.36) FFAR4MME
SCHEMBL10252545 0.70 SMN1; SMN2 (0.38) MEN1LMNAKMT2AALDH1A1
SCHEMBL14902419 0.69 MME (0.38) RORCMMEL1MEN1LMNAKMT2A
SCHEMBL22404869 0.69 FASN (0.35) MMEL1FFAR4MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744104-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
US-20190262297-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-29 — — US disclosed
EP-2964616-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-05-03 — — EP 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 (2 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-10744104-B2 Neprilysin inhibitors MME, REN, ACE RORC 4543/4885MMEL1 213/4885CXCR3 4059/4885
US-20190262297-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RORC 4543/4885MMEL1 213/4885CXCR3 4059/4885

“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.

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