SCHEMBL3389968

SCHEMBL3389968

CCC(O)(CC)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
CHRM3 P20309 5/20 0.41
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
RIPK1 Q13546 1/20 0.37
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM4 P08173 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
RGS12 O14924 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6682429 0.85 ESR1 (0.40) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL9832420 0.85 RIPK1 (0.38) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL5929581 0.84 CHRM3 (0.39) ESR1CHRM3CHRM2CHRM1RIPK1
SCHEMBL158683 0.83 ESR1 (0.51) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL16847373 0.82 ESR1 (0.41) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL9906158 0.81 ESR1 (0.41) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL5684867 0.81 ESR1 (0.41) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL28855768 0.81 ESR1 (0.41) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL28671879 0.81 ESR1 (0.41) ESR1CHRM3CHRM2CHRM1CNR1
SCHEMBL28671877 0.81 ESR1 (0.41) ESR1CHRM3CHRM2CHRM1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
EP-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP disclosed
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators ELI LILLY AND COMPANY 2006-12-21 US disclosed
US-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators ELI LILLY AND COMPANY PATENT DIVISON (US) 2006-06-22 US disclosed
EP-1587905-A3 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-12-14 EP disclosed
EP-1587905-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 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 (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-20060135484-A1 Vesicant treatment with phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ESR1 377/4885CHRM3 760/4885CHRM2 2253/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ESR1 180/4885CHRM3 3181/4885CHRM2 3774/4885

“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.