SCHEMBL3128017

SCHEMBL3128017

O=S(=O)(Cl)NN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 3/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.32
LIPE Q05469 1/20 0.32

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
SCHEMBL3056761 0.77
SCHEMBL7290030 0.77 CA1 (0.32) ALDH1A1TSHRCA1CA2KMT2A
SCHEMBL3886688 0.76 PHGDH (0.46) PHGDHALDH1A1MAPTCA12CA7
SCHEMBL7028490 0.76 PHGDH (0.46) PHGDHALDH1A1MAPTCA12CA7
SCHEMBL1094244 0.76 PHGDH (0.46) PHGDHALDH1A1MAPTCA12CA7
SCHEMBL7910215 0.76 PHGDH (0.42) PHGDHALDH1A1MAPTCA12CA7
SCHEMBL5224904 0.75 CA1 (0.36) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL6335937 0.75 CA1 (0.36) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL22973711 0.74 PHGDH (0.49) PHGDHALDH1A1MAPTCA12CA7
SCHEMBL6677562 0.73 PHGDH (0.43) PHGDHALDH1A1MAPTCA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-7419978-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
CN-101146795-A Pyrazole derivatives for the inhibition of CDK and GSK ASTEX THERAPEUTICS LTD (GB) 2008-03-19 CN disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 PHGDH 3563/4885ALDH1A1 1902/4885MAPT 4602/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 PHGDH 963/4885ALDH1A1 1576/4885MAPT 1859/4885
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 PHGDH 2396/4885ALDH1A1 2665/4885MAPT 2263/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE PHGDH 347/4885ALDH1A1 2788/4885MAPT 2025/4885

“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.