SCHEMBL3394907

SCHEMBL3394907

CCCc1cc(C(CC)(CC)c2ccc(C(=O)OC)s2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ESR1 P03372 9/20 0.46
ESR2 Q92731 7/20 0.46
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3395067 0.92 ESR1 (0.56) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL13366792 0.85 HPGD (0.57) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL13786182 0.82 NPSR1 (0.48) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL6440111 0.82 ESR1 (0.44) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL3396365 0.81 NPSR1 (0.52) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL3395722 0.81 VDR (0.50) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL3392738 0.80 HDAC6 (0.51) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL3392813 0.75 VDR (0.53) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL3422595 0.73 HDAC6 (0.51) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL13786308 0.73 NPSR1 (0.47) HPGDNPSR1TSHRMAPK1ATM

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 HPGD 359/4885NPSR1 628/4885TSHR 458/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HPGD 573/4885NPSR1 554/4885TSHR 92/4885

“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.