SCHEMBL1665636

SCHEMBL1665636

O=Cc1ccc(OC(=O)N2CCOCC2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ GAA P10253 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ EPHX1 P07099 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4290435 0.90 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL22322036 0.88 ALDH1A1 (0.57) SMN1; SMN2TSHRGAANPSR1KMT2A
SCHEMBL4290438 0.85 SMN1; SMN2 (0.43) SMN1; SMN2TSHRNPSR1KMT2ARAB9A
SCHEMBL1665145 0.82 TSHR (0.55) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL13662434 0.81 GPR119 (0.45) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL1665656 0.80 NAAA (0.40) SMN1; SMN2TSHR
SCHEMBL1665144 0.77 CYP1A2 (0.68) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL1665123 0.76 TP53 (0.51) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4599565 0.75 EPHX1 (0.68) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL22322033 0.75 ALDH1A1 (0.43) SMN1; SMN2GAANPSR1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 — — EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 — — US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 — — US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 — — US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 — — US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 — — US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 — — EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 — — WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 — — 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 (3 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SMN1; SMN2 2670/4885TSHR 3291/4885CYP1A2 3584/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SMN1; SMN2 2670/4885TSHR 3291/4885CYP1A2 3584/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SMN1; SMN2 2670/4885TSHR 3291/4885CYP1A2 3584/4885

“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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