SCHEMBL6089544

SCHEMBL6089544

CCC(O)(CC)c1ccc2ccsc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.45
TXK P42681 4/20 0.45
SYK P43405 4/20 0.45
ITK Q08881 4/20 0.45
PTPRC P08575 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.33
CYP2A6 P11509 1/20 0.33
ESR1 P03372 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
VDR P11473 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL6090889 0.86 PTPRC (0.50) LCKTXKSYKITKPTPRC
SCHEMBL25572442 0.78 PTPRC (0.33) LCKTXKSYKITKPTPRC
SCHEMBL25572401 0.77 PTPRC (0.34) LCKTXKSYKITKPTPRC
SCHEMBL3799533 0.76 ALDH1A1 (0.39) PTPRCPTPN6PTPN11PTPN22CYP2A6
SCHEMBL25572344 0.75 PTPRC (0.32) PTPRCPTPN6PTPN11PTPN22CCR9
SCHEMBL15582380 0.75 PTPRC (0.42) PTPRCPTPN6PTPN11PTPN22
SCHEMBL25572299 0.74 PTPRC (0.33) PTPRCPTPN6PTPN11PTPN22MRGPRX4
SCHEMBL15590663 0.74 PTPRC (0.44) PTPRCPTPN6PTPN11PTPN22AR
SCHEMBL25572312 0.73 PTPRC (0.31) PTPRCPTPN6PTPN11PTPN22
SCHEMBL21025987 0.73 PTPRC (0.36) PTPRCPTPN6PTPN11PTPN22CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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 (1 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R LCK 1360/4885TXK 3029/4885SYK 2839/4885

“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.