SCHEMBL7293246

SCHEMBL7293246

O=C(N[C@@H](Cc1ccccc1)C(=O)C(=O)CCl)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.60
CTSL P07711 4/20 0.58
CTSB P07858 4/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 2/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
CAPN1 P07384 2/20 0.56
CTRB1 P17538 2/20 0.56

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
SCHEMBL7293242 1.00 TACR1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8617156 0.88 TACR1 (0.61) TACR1CTSLCTSBCTSSCTSK
SCHEMBL3044116 0.86 TACR1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4980616 0.86 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7490981 0.86 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6439753 0.86 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8699187 0.86 TACR1 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7287480 0.86 CTSK (0.66) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7287486 0.86 CTSK (0.66) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL4965672 0.86 CTSL (0.47) TACR1CTSLCTSBCTSSCTSK

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 14 patents. 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
US-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-28 US disclosed
EP-2409149-B1 METHODS OF SCREENING USING AMPHIBIANS BRÄNDLI ANDRÉ W (CH) 2015-11-11 EP 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
WO-1994025581-A1 MODIFIED RECOMBINANT TISSUE PLASMINOGEN ACTIVATOR SOUTHERN SYDNEY AREA HEALTH SERVICE (AU) 1994-11-10 WO disclosed
EP-0263903-A1 Method for preparing specific inhibitors of virus-specified proteases E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-20 EP disclosed
EP-0263214-A1 Tetrapeptide methyl ketone inhibitors of viral proteases E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-13 EP disclosed
EP-0263202-A1 Inhibition of viral protease activity by peptide halomethyl ketones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-13 EP disclosed
US-4652552-A ENZYME INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-03-24 US disclosed
US-4644055-A HALOMETHYL KETONE OR METHYL KETONE COVALENTLY LINKED TO PEPTIDE SEQUENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-02-17 US disclosed
US-4636492-A ENZYME INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-13 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 TACR1 200/4885CTSL 105/4885CTSB 285/4885
US-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS PTGER1, PTGS1, PTGES TACR1 4262/4885CTSL 1566/4885CTSB 641/4885
US-20180271886-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS PTGS1, PTGS2, PTGES2 TACR1 3806/4885CTSL 1304/4885CTSB 476/4885

“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.