SCHEMBL1859177

SCHEMBL1859177

O=C(O)C(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.73
▸ CPA3 P15088 3/20 0.70
▸ FOLH1 Q04609 2/20 0.66
▸ CPA1 P15085 5/20 0.63
▸ CPB1 P15086 1/20 0.63
▸ CPB2 Q96IY4 1/20 0.63
▸ LAP3 P28838 3/20 0.60
▸ ERAP2 Q6P179 2/20 0.60
▸ ERAP1 Q9NZ08 2/20 0.60
▸ ANPEP P15144 1/20 0.60
▸ SLC1A3 P43003 1/20 0.58
▸ SLC1A2 P43004 1/20 0.58
▸ SLC1A1 P43005 1/20 0.58

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
SCHEMBL12494233 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL1857365 0.90 CYP1A2 (0.61) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL19821208 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL6724759 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL10521966 0.89 FOLH1 (0.72) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL10769990 0.89 FOLH1 (0.72) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL7439191 0.88 GRIK1 (0.64) CYP1A2CPA3FOLH1CPA1CPB1
Water SCHEMBL4010621 0.88 CYP1A2 (0.59) CYP1A2CPA3FOLH1CPA1CPB1
Hydrochloric Acid SCHEMBL6717346 0.88 CYP1A2 (0.79) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL7439193 0.88 GRIK1 (0.64) CYP1A2CPA3FOLH1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 — — US claimed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 — — WO claimed
EP-0385534-B1 Microcapsules containing hydrophobic liquid core PROCTER & GAMBLE (US) 1994-04-13 — — EP claimed
EP-3440051-B1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RES TRIANGLE INST (US) 2024-03-20 — — EP disclosed
CN-109153635-B Neuropeptide S receptor (NPSR) agonists 研究三角协会 2022-04-08 — — CN disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 — — US disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 — — US disclosed
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 — — US disclosed
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 — — US disclosed
EP-3440051-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS Research Triangle Institute (US) 2019-02-13 — — EP disclosed
CN-109153635-A Neuropeptide S receptor (NPSR) agonist 研究三角协会 2019-01-04 — — CN disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 — — US disclosed
WO-2017176461-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2017-10-12 — — WO disclosed
WO-2017176461-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2017-10-12 — — WO disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 — — US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 — — US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 — — US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 — — US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 — — US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 — — 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 (4 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-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 CYP1A2 4100/4885CPA3 1251/4885FOLH1 1267/4885
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 CYP1A2 694/4885CPA3 3771/4885FOLH1 1248/4885
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 CYP1A2 4100/4885CPA3 1251/4885FOLH1 1267/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS CYP1A2 158/4885CPA3 3987/4885FOLH1 1635/4885

“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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