SCHEMBL19806085

SCHEMBL19806085

CC(C)(C)c1ccc(CC(C)(C)c2cccc(Cl)c2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.35
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NR3C1 P04150 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
PNMT P11086 2/20 0.32
PKM P14618 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
SCHEMBL21094294 0.89 CCR9 (0.37) KIF11SCN5ASCN9AESR1ESR2
SCHEMBL22477669 0.82 FDPS (0.40) ESR1ESR2TSHRALDH1A1HTT
SCHEMBL22761971 0.81 CCR9 (0.42) KIF11SCN5ASCN9ACYP3A4TAAR1
SCHEMBL21740929 0.78 ESR2 (0.39) KIF11ESR1ESR2TAAR1
SCHEMBL22414493 0.77 PNMT (0.38) KIF11CYP3A4TAAR1PNMTPKM
SCHEMBL19806049 0.76 ESR1 (0.42) KIF11ESR1ESR2TDP1CYP3A4
SCHEMBL25530522 0.76 ESR1 (0.42) ESR1TDP1CYP3A4TSHRMAPK1
SCHEMBL22649429 0.75 GABRA1 (0.35) ESR1ESR2NR3C1TDP1TSHR
SCHEMBL24126779 0.74
SCHEMBL21302117 0.74 ESR1 (0.40) KIF11ESR1ESR2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 US disclosed
US-10202354-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 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 (5 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KIF11 4597/4885SCN5A 3519/4885SCN9A 456/4885
US-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS AHR, ARNT, AIPL1 KIF11 4820/4885SCN5A 2817/4885SCN9A 3973/4885
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B KIF11 2129/4885SCN5A 2501/4885SCN9A 4087/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KIF11 4597/4885SCN5A 3519/4885SCN9A 456/4885
US-10202354-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B KIF11 2129/4885SCN5A 2501/4885SCN9A 4087/4885

“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.