SCHEMBL6299796

SCHEMBL6299796

F[C](Cl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CALM1 P0DP23 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTBP2 P56545 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL575074 0.78 AKR1B1 (0.62) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL575184 0.78 CES1 (0.55) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL9317795 0.76 CES1 (0.52) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL1333665 0.76 CES1 (0.52) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL66063 0.74 CES1 (0.50) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL2424223 0.74 CES1 (0.50) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL6348874 0.74 CES1 (0.64) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL15265736 0.74 CES1 (0.50) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL10823798 0.74 CES1 (0.50) CES1CES2AKR1B1TSHRKMT2A
SCHEMBL3113565 0.74 CES1 (0.50) CES1CES2AKR1B1TSHRKMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052076-B2 Spirocyclic indolines as IL-17 modulators UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators UCB Biopharma SRL (BE) 2020-05-07 US disclosed
EP-3638227-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-04-22 EP disclosed
WO-2018229079-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB BIOPHARMA SPRL (BE) 2018-12-20 WO disclosed
US-6852718-B2 Phenylsulphonylipiperazinyl derivatives as 5-HT receptor ligands MERCK SHARP & DOHME LTD 2005-02-08 US disclosed
EP-1147084-B1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2004-05-19 EP 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-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
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 (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-11052076-B2 Spirocyclic indolines as IL-17 modulators IL17A, IL2, IL18 CES1 4038/4885CES2 4647/4885AKR1B1 739/4885
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators IL17A, IL2, IL18 CES1 4038/4885CES2 4647/4885AKR1B1 739/4885
US-20030181464-A1 Phenylsulphonylipiperazinyl derivatives as 5-ht receptor ligands HTR2A, HTR2C, HTR2B CES1 1420/4885CES2 603/4885AKR1B1 613/4885

“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.