SCHEMBL3631360

SCHEMBL3631360

CCC(=O)Nc1ccc(C(=O)O)nc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 11/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.56
▸ GAA P10253 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 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
SCHEMBL9317180 0.94 P4HTM (0.53) P4HTMSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL25733687 0.83 P4HTM (0.58) P4HTMHDAC3HDAC4HDAC1HDAC8
SCHEMBL3621493 0.81 P4HTM (0.63) P4HTMSMN1; SMN2MAPK1ALDH1A1
SCHEMBL19151154 0.79 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL30112058 0.79 P4HTM (0.60) P4HTMMAPTMAPK1ALDH1A1
SCHEMBL18405340 0.79 P4HTM (0.60) P4HTMMAPTMAPK1ALDH1A1
SCHEMBL8792557 0.79 HSD17B10 (0.76) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL23845461 0.78 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL12182424 0.78 ALDH1A1 (0.57) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL2619354 0.78 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPTNPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 — — US claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 — — US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 — — US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 — — EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 — — EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 — — WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 — — WO claimed
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 — — US disclosed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 — — US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 — — US disclosed
US-6559186-B1 Pain is treated topically by administering to the site where sympathetically maintained pain is present an alpha -1-adrenergic antagonist, alpha -2- adrenergic agonist, or other drug that depletes or blocks synthesis of sympathetic ARC 1, INC. 2003-05-06 — — US disclosed
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 — — EP disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 — — EP disclosed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 — — EP disclosed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 — — WO disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 — — EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 — — WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 — — 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 (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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH P4HTM 257/4885SMN1; SMN2 1953/4885RAB9A 1699/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH P4HTM 296/4885SMN1; SMN2 793/4885RAB9A 1433/4885

“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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