SCHEMBL3393175

SCHEMBL3393175

CCC(O)CCc1ccc(C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAO P14920 6/20 0.42
PTGER2 P43116 5/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRNP P04156 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGDR Q13258 2/20 0.40
PTGER1 P34995 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
LIG1 P18858 1/20 0.39

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
SCHEMBL9684214 0.83 DAO (0.44) POLBTDP1DAOPTGER2PTGER4
SCHEMBL7013256 0.81 ALDH1A1 (0.46) POLBTDP1DAOPTGER2PTGER4
SCHEMBL2653704 0.81 POLB (0.40) POLBTDP1DAOPTGER2PTGER4
SCHEMBL262537 0.79 DAO (0.50) POLBTDP1DAOPTGER2PTGER4
SCHEMBL7990188 0.79 DAO (0.43) POLBTDP1DAOPTGER2PTGER4
SCHEMBL6194559 0.77 DAO (0.42) POLBTDP1DAOPTGER2PTGER4
SCHEMBL6193946 0.76 ALDH1A1 (0.42) POLBTDP1DAOPTGER2PTGER4
SCHEMBL6196081 0.76 DAO (0.41) POLBTDP1DAOPTGER2PTGER4
SCHEMBL261238 0.76 POLB (0.54) POLBTDP1DAOPTGER2PTGER4
SCHEMBL262044 0.75 HPGD (0.56) DAOALDH1A1TP53PKMLIG1

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 10 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
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 POLB 4777/4885TDP1 2923/4885DAO 4022/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 POLB 4484/4885TDP1 3494/4885DAO 3846/4885

“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.