SCHEMBL6299799

SCHEMBL6299799

[CH2]C(F)(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.42
PTPN1 P18031 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KCNN4 O15554 4/20 0.39
KIF11 P52732 3/20 0.39
MAPK1 P28482 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
PTPN5 P54829 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CES1 P23141 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
SCHEMBL5720508 0.77 TSHR (0.58) TSHRALDH1A1CYP1A2PTPN1CA1
SCHEMBL4219815 0.77 TSHR (0.58) TSHRALDH1A1CYP1A2PTPN1CA1
SCHEMBL703196 0.77 TSHR (0.58) TSHRALDH1A1CYP1A2PTPN1CA1
SCHEMBL1829408 0.77 TSHR (0.58) TSHRALDH1A1CYP1A2PTPN1KCNN4
SCHEMBL10954237 0.77 TSHR (0.58) TSHRALDH1A1CYP1A2PTPN1KCNN4
SCHEMBL23525262 0.77 TSHR (0.58) TSHRALDH1A1CYP1A2PTPN1CA1
SCHEMBL10885277 0.74 ALDH1A1 (0.55) TSHRALDH1A1CYP1A2PTPN1CA1
Trifluoromethylbenzene SCHEMBL6439041 0.74 TSHR (0.82) TSHRALDH1A1CYP1A2PTPN1CA1
SCHEMBL13518151 0.74 ALDH1A1 (0.48) TSHRALDH1A1CYP1A2PTPN1CA1
Trifluoromethylbenzene SCHEMBL31493124 0.73 TSHR (0.93) TSHRALDH1A1CYP1A2PTPN1CA1

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 TSHR 1408/4885ALDH1A1 939/4885CYP1A2 339/4885
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators IL17A, IL2, IL18 TSHR 1408/4885ALDH1A1 939/4885CYP1A2 339/4885
US-20030181464-A1 Phenylsulphonylipiperazinyl derivatives as 5-ht receptor ligands HTR2A, HTR2C, HTR2B TSHR 21/4885ALDH1A1 1238/4885CYP1A2 86/4885

“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.