SCHEMBL7159528

SCHEMBL7159528

CN(C)Cc1ccc(C(=O)O)cc1.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ TSHR P16473 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.52
▸ MEP1B Q16820 1/20 0.51
▸ ALDH2 P05091 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RXRA P19793 2/20 0.49
▸ RXRB P28702 2/20 0.49
▸ RXRG P48443 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ LSS P48449 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL65825 0.98 ALDH1A1 (0.59) ALDH1A1TSHRHRH3MEP1BALDH2
Hydrochloric Acid SCHEMBL5065552 0.96 ALDH1A1 (0.57) ALDH1A1TSHRHRH3MEP1BALDH2
SCHEMBL13799721 0.86 ALDH1A1 (0.52) ALDH1A1TSHRHRH3MEP1BALDH2
Trolamine SCHEMBL5693934 0.86 MEP1B (0.47) ALDH1A1TSHRHRH3MEP1BALDH2
SCHEMBL8781885 0.83 ALDH1A1 (0.57) ALDH1A1TSHRMEP1BALDH2TP53
SCHEMBL25137173 0.83 HRH3 (0.56) ALDH1A1TSHRHRH3TAAR1LSS
SCHEMBL11806886 0.82 LTA4H (0.56) ALDH1A1TSHRMEP1BALDH2TP53
SCHEMBL14487913 0.81 ACHE (0.57) ALDH1A1MEP1BALDH2RXRARXRB
SCHEMBL12734915 0.81 PYCR1 (0.62) ALDH1A1TSHRHRH3TAAR1KMT2A
SCHEMBL14419055 0.80 ALDH1A1 (0.59) ALDH1A1TSHRHRH3TAAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 — — US disclosed
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 — — US disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 — — US disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — US disclosed
US-6331542-B1 TREATING DISEASES CHARACTERIZED BY BONE LOSS OR EXCESSIVE CARTILAGE OR MATRIX DEGRADATION SMITHKLINE BEECHAM CORPORATION 2001-12-18 — — US disclosed
US-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 — — US disclosed
US-6232342-B1 CATHEPSIN K INHIBITOR FOR TREATING OSTEOPOROSIS, GINGIVITIS, PERIODONTITIS, ARTHRITIS, OSTEOARTHRITIS RHEUMATOID ARTHRITIS, PAGET'S DISEASE, HYPERCALCEMIA OF MALIGNANCY AND METABOLIC BONE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-15 — — US disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 — — US disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 — — 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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG ALDH1A1 3948/4885TSHR 3929/4885HRH3 2660/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG ALDH1A1 3948/4885TSHR 3929/4885HRH3 2660/4885

“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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