Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ARG2 | P78540 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10528654 | 0.76 | MAOB (0.61) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL5643336 | 0.75 | MAOB (0.52) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL11452651 | 0.75 | MAOB (0.52) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL5165136 | 0.75 | MAOB (0.52) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL5644354 | 0.75 | MAOB (0.52) | MAOBIDO1CA1CA2ARG2 | |
| SCHEMBL5641562 | 0.75 | MAOB (0.46) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL223718 | 0.73 | MAOB (0.50) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL9735449 | 0.71 | MAOB (0.48) | MAOBTP53IDO1CA1CA2 | |
| SCHEMBL66833 | 0.70 | — | — | |
| SCHEMBL87756 | 0.70 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-6852718-B2 | Phenylsulphonylipiperazinyl derivatives as 5-HT receptor ligands | MERCK SHARP & DOHME LTD | 2005-02-08 | — | — | US | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| US-6777430-B2 | A DERIVATIVES WITH ATTACHED TO AN N-ARYLALKYL-SUBSTITUTED AZETIDINE, PYRROLIDINE OR PIPERIDINE RING; A SERATONIN RECEPTOR ANTAGONISTS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDER SCHIZOPHRENIA, DEPRESSION | MERCK SHARP & DOHME LTD. | 2004-08-17 | — | — | US | disclosed |
| EP-1147084-B1 | PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME (GB) | 2004-05-19 | — | — | EP | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| US-20030203889-A1 | Phenylsulphonyl derivatives as 5-HT receptor ligands | MERCK & CO., INC. | 2003-10-30 | — | — | US | disclosed |
| US-20030181464-A1 | Phenylsulphonylipiperazinyl derivatives as 5-ht receptor ligands | THE INSTITUTE OF CANCER RESEARCH (GB) | 2003-09-25 | — | — | US | disclosed |
| US-6559166-B1 | A class of phenylsulphonyl derivatives wherein the sulphonyl moiety is also attached to an N-arylalkyl-substituted azetidine, pyrrolidine or piperidine ring are selective antagonists of the human 5-HT2A receptor and are therefore | MERCK SHARP & DOHME LTD. | 2003-05-06 | — | — | US | disclosed |
| EP-1280785-A1 | PHENYLSULPHONYLPIPERAZINYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2003-02-05 | — | — | EP | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-6316468-B1 | Phenylindole derivatives as 5-HT2A receptor antagonists | MERCK SHARP & DOHME LTD. | 2001-11-13 | — | — | US | disclosed |
| EP-1147084-A1 | PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2001-10-24 | — | — | EP | disclosed |
| WO-2001074797-A1 | PHENYLSULPHONYLPIPERAZINYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2001-10-11 | — | — | WO | disclosed |
| CN-1298404-A | Inhibitors of phospholipase A2 | GENETICS INST (US) | 2001-06-06 | — | — | CN | disclosed |
| WO-2000043362-A1 | PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2000-07-27 | — | — | WO | disclosed |
| WO-1999011641-A1 | PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1999-03-11 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | MAOB 1498/4885TP53 3502/4885IDO1 359/4885 |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | MAOB 1498/4885TP53 3502/4885IDO1 359/4885 |
| US-20030203889-A1 | Phenylsulphonyl derivatives as 5-HT receptor ligands | HTR2A, HTR5A, HTR2C | MAOB 115/4885TP53 4419/4885IDO1 591/4885 |
| US-20030181464-A1 | Phenylsulphonylipiperazinyl derivatives as 5-ht receptor ligands | HTR2A, HTR2C, HTR2B | MAOB 118/4885TP53 4406/4885IDO1 1395/4885 |
“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.