SCHEMBL4801701

SCHEMBL4801701

COc1ccc(F)c2c(Cl)c(C(=O)O)sc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.50
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GPR35 Q9HC97 1/20 0.39
BCKDK O14874 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2L1 Q07817 1/20 0.35
TTR P02766 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4805172 0.87 STING1 (0.42) STING1LMNARAB9AALDH1A1HPGD
SCHEMBL4731348 0.83 MCL1 (0.47) STING1MAPK1RAB9AMCL1ALDH1A1
SCHEMBL6027175 0.77 BCKDK (0.48) STING1MAPK1LMNAHTTRAB9A
SCHEMBL6026350 0.77 MCL1 (0.50) STING1MAPK1LMNAHTTRAB9A
SCHEMBL5032108 0.74 MCL1 (0.51) STING1MAPK1HTTMCL1ALDH1A1
SCHEMBL4398094 0.70 RAB9A (0.50) MAPK1LMNAHTTRAB9AALDH1A1
SCHEMBL66532 0.70 STING1 (0.36) STING1MAPK1LMNARAB9AMCL1
SCHEMBL6025665 0.70 BCKDK (0.56) STING1MAPK1LMNAHTTRAB9A
SCHEMBL4798622 0.69 EPHB4 (0.39) STING1LMNAHTTRAB9AALDH1A1
SCHEMBL4730532 0.68 MCL1 (0.71) MAPK1LMNARAB9AMCL1ALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 US disclosed
US-7037932-B2 Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
US-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ELI LILLY AND COMPANY (US) 2006-01-19 US disclosed
EP-1397129-B1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2005-11-16 EP disclosed
EP-1587781-A1 3-ARYLOXY/THIO-2,3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2004-09-09 US disclosed
WO-2004043903-A1 3-ARYLOXY/ THIO-2, 3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
EP-1397129-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094262-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-11-28 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 (3 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-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ADRB3, HTR3C, CHRNB3 STING1 3089/4885MAPK1 2780/4885LMNA 1105/4885
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 STING1 2352/4885MAPK1 2776/4885LMNA 1947/4885
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 STING1 3295/4885MAPK1 971/4885LMNA 1792/4885

“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.