SCHEMBL414504

SCHEMBL414504

O=C(O)CCCSc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL4994160 0.95 ALDH1A1 (0.62) ALDH1A1CXCR1CXCR2HTTLMNA
SCHEMBL4407133 0.93 ALDH1A1 (0.61) ALDH1A1CXCR1CXCR2HTTLMNA
SCHEMBL5507623 0.89 ALDH1A1 (0.53) ALDH1A1HTTLMNANPC1RAB9A
SCHEMBL416482 0.83 ALDH1A1 (0.72) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1932191 0.82 ALDH1A1 (1.00) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL414617 0.81 ALDH1A1 (0.70) ALDH1A1HTTLMNANPC1RAB9A
SCHEMBL417732 0.81 ALDH1A1 (0.70) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5209754 0.81 ALDH1A1 (0.70) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL413122 0.81 ALDH1A1 (0.64) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28247363 0.81 ALDH1A1 (0.59) ALDH1A1CXCR1CXCR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP claimed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP claimed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO claimed
US-7045321-B2 POLYHYDROXYALKANOATE CONTAINING UNIT WITH PHENYLSULFANYL STRUCTURE IN THE SIDE CHAIN, PROCESS FOR ITS PRODUCTION, CHARGE CONTROL AGENT, TONER BINDER AND TONER WHICH CONTAIN NOVEL POLYHYDROXYALKANOATE, AND IMAGE-FORMING METHOD AND IMAGE-FORMING APPARATUS WHICH MAKE USE OF THE TONER CANON KABUSHIKI KAISHA (JP) 2006-05-16 US claimed
US-20030013841-A1 Novel polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image-forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2003-01-16 US claimed
EP-1236755-A2 Novel polyhydroxyalkanoate containing unit phenylsulfanyl structure in the side cahin, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and imageforming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2002-09-04 EP claimed
CN-108640901-B Thiochroman-4-ketone thiosemicarbazone compound and preparation method and application thereof 岭南师范学院 2020-04-28 CN disclosed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-1236755-A2 Novel polyhydroxyalkanoate containing unit phenylsulfanyl structure in the side cahin, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and imageforming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2002-09-04 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
EP-1183245-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6222040-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-24 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 WO disclosed
US-6124331-A TREATING ABNORMAL FEEDING DISORDERS (OBESITY AND BULIMIA NERVOSA), SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-09-26 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 (2 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885CXCR1 1434/4885CXCR2 2074/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885CXCR1 2256/4885CXCR2 313/4885

“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.