SCHEMBL5358396

SCHEMBL5358396

CCc1cccc(C(F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
KIF11 P52732 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
IDO1 P14902 2/20 0.43
TP53 P04637 1/20 0.41
ACP3 P15309 1/20 0.41
MAOB P27338 5/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL14339435 0.83 KIF11 (0.47) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL6377331 0.83 HTR2A (0.46) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL16105797 0.83 HTR2A (0.46) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL46757 0.83 HTR2A (0.63) HTR2AHTR2BHTR2CTAAR1SIGMAR1
SCHEMBL10233507 0.82 HTR2A (0.44) HTR2AHTR2BHTR2CKIF11TAAR1
Ammonia Solution, Strong SCHEMBL266843 0.81 HTR2A (0.61) HTR2AHTR2BHTR2CTAAR1SIGMAR1
SCHEMBL20811436 0.81 HTR2A (0.47) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL17805427 0.81 HTR2A (0.47) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL128188 0.80 RORC (0.50) HTR2AHTR2BHTR2C
SCHEMBL24961819 0.79 PGK1 (0.44) HTR2AHTR2BHTR2CKIF11TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292101-B1 TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
EP-3541786-B1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 HTR2A 1190/4885HTR2B 1233/4885HTR2C 884/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 HTR2A 864/4885HTR2B 458/4885HTR2C 548/4885

“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.