SCHEMBL1103931

SCHEMBL1103931

CC(=O)S[C@@H]1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PDE4B Q07343 1/20 0.48
▸ GRIN2B Q13224 7/20 0.48
▸ CYP2D6 P10635 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ USP30 Q70CQ3 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP3A4 P08684 3/20 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
SCHEMBL21806036 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL11931619 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4349202 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL5234494 0.92 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7295446 0.90 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19520183 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL28297839 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19544793 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22295606 0.85 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL195525 0.84 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 — — US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 — — US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 — — US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 — — US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 — — US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 — — US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 — — US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 — — US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 — — US disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 — — WO 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 (4 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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN SMN1; SMN2 2999/4885NPC1 233/4885RAB9A 3554/4885
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 SMN1; SMN2 2800/4885NPC1 298/4885RAB9A 832/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 SMN1; SMN2 2800/4885NPC1 298/4885RAB9A 832/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 SMN1; SMN2 2800/4885NPC1 298/4885RAB9A 832/4885

“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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