SCHEMBL2389104

SCHEMBL2389104

COC(=O)[C@H](N)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.57
LTA4H P09960 3/20 0.51
TACR1 P25103 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
FOLH1 Q04609 1/20 0.45
KMT2A Q03164 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL1279255 1.00 SLC1A1 (0.57) SLC1A1LTA4HTACR1ALDH1A1CA1
SCHEMBL2059074 1.00 SLC1A1 (0.57) SLC1A1LTA4HTACR1ALDH1A1CA1
Hydrochloric Acid SCHEMBL5487502 0.98 SLC1A1 (0.56) SLC1A1LTA4HTACR1ALDH1A1CA1
Hydrochloric Acid SCHEMBL29886043 0.98 SLC1A1 (0.56) SLC1A1LTA4HTACR1ALDH1A1CA1
Hydrochloric Acid SCHEMBL5487507 0.98 SLC1A1 (0.56) SLC1A1LTA4HTACR1ALDH1A1CA1
Hydrochloric Acid SCHEMBL5926216 0.90 SLC1A1 (0.48) SLC1A1LTA4HPPARA
SCHEMBL4449200 0.87 SLC1A1 (0.46) SLC1A1LTA4HTACR1
SCHEMBL589861 0.87 SLC1A1 (0.46) SLC1A1LTA4HTACR1
SCHEMBL7419155 0.87 SLC1A1 (0.60) SLC1A1LTA4HTACR1ALDH1A1CA1
SCHEMBL7419152 0.87 SLC1A1 (0.60) SLC1A1LTA4HTACR1ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481484-B2 Cyclic heptapeptide and use of the same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-07-09 US disclosed
US-8242174-B2 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-08-14 US disclosed
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2012-06-21 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100286363-A1 CYCLIC HEPTAPEPTIDE AND USE OF THE SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-11-11 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
CN-1206422-A Growth-hormone secretagogues PFIZER (US) 1999-01-27 CN disclosed
WO-1998058949-A1 TREATMENT OF INSULIN RESISTANCE WITH GROWTH HORMONE SECRETAGOGUES PFIZER PRODUCTS INC. (US) 1998-12-30 WO disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
EP-0869968-A1 GROWTH-HORMONE SECRETAGOGUES PFIZER INC. (US) 1998-10-14 EP disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1997024369-A1 GROWTH-HORMONE SECRETAGOGUES PFIZER INC. (US) 1997-07-10 WO disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 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 (5 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-20110269960-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 SLC1A1 1164/4885LTA4H 1329/4885TACR1 114/4885
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC SLC1A1 557/4885LTA4H 2308/4885TACR1 3386/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SLC1A1 1352/4885LTA4H 3356/4885TACR1 1124/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 SLC1A1 1227/4885LTA4H 1186/4885TACR1 117/4885
US-20100286363-A1 CYCLIC HEPTAPEPTIDE AND USE OF THE SAME FABP4, HDGF, EBP SLC1A1 4021/4885LTA4H 1136/4885TACR1 1347/4885

“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.