SCHEMBL2576567

SCHEMBL2576567

CC(=O)Cl.O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
ALOX15 P16050 1/20 0.65
CTSL P07711 4/20 0.63
CTSB P07858 3/20 0.63
CTSS P25774 2/20 0.63
CTSK P43235 2/20 0.63
TACR1 P25103 2/20 0.61
ITGB3 P05106 7/20 0.61
ITGA2B P08514 7/20 0.61

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
SCHEMBL7434107 1.00 ALDH1A1 (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
Hypochlorous Acid SCHEMBL7368156 0.96 TACR1 (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8583913 0.95 CTSL (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
Aniline SCHEMBL8510048 0.94 ALDH1A1 (0.59) ALDH1A1ALOX15CTSLCTSBCTSS
Glycine SCHEMBL7320734 0.94 ITGB3 (0.61) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL479010 0.93 TACR1 (0.68) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL219151 0.93 TACR1 (0.68) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL220648 0.93 TACR1 (0.68) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7372270 0.93 TACR1 (0.68) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL26661077 0.93 TACR1 (0.68) ALDH1A1ALOX15CTSLCTSBCTSS

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 291 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180271886-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-09-27 US disclosed
US-9925202-B2 Treatment of lymphangioleiomyomatosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-03-27 US disclosed
US-20160129030-A1 TREATMENT OF MTOR HYPERACTIVE RELATED DISEASES AND DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-05-12 US disclosed
CN-104628771-B Antiviral medicine and its medicinal composition HESI (XI'AN) BIOTECHNOLOGY CO.,LTD. (CN) 2016-05-11 CN disclosed
US-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-28 US disclosed
WO-2014201111-A1 TREATMENT OF MTOR HYPERACTIVE RELATED DISEASES AND DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-12-18 WO disclosed
WO-2014137978-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-09-12 WO disclosed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
US-4670541-A Use of diamino alcohols as analgesic agents E. R. SQUIBB & SONS, INC. (US) 1987-06-02 US disclosed
US-4552866-A Use of diamino alcohols as analgesic agents E. R. SQUIBB & SONS, INC. (US) 1985-11-12 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-20160129030-A1 TREATMENT OF MTOR HYPERACTIVE RELATED DISEASES AND DISORDERS MTOR, RICTOR, LAMTOR3 ALDH1A1 4582/4885ALOX15 4355/4885CTSL 105/4885
US-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS PTGER1, PTGS1, PTGES ALDH1A1 3412/4885ALOX15 41/4885CTSL 1566/4885
US-20180271886-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS PTGS1, PTGS2, PTGES2 ALDH1A1 1618/4885ALOX15 57/4885CTSL 1304/4885

“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.