SCHEMBL3389972

SCHEMBL3389972

CCC(O)CCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
CYP2C19 P33261 1/20 0.42
ADAM17 P78536 3/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
RIPK1 Q13546 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL4205163 0.82 TAAR1 (0.44) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL27832993 0.81 TAAR1 (0.47) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL4202449 0.81 CYP2C19 (0.53) TAAR1ADRA2AADRA2BADRA2CCYP2C19
SCHEMBL9685393 0.81 KMT2A (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL10728212 0.81 KMT2A (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL5310132 0.81 KMT2A (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL19185640 0.79 TAAR1 (0.48) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL7534232 0.78 TAAR1 (0.52) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL2336435 0.78 TAAR1 (0.47) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL7534237 0.78 TAAR1 (0.52) TAAR1PTGS1PTGS2ADRA2AADRA2B

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 TAAR1 1268/4885PTGS1 591/4885PTGS2 786/4885
US-20060287536-A1 Phenyl-thiophene type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TAAR1 1553/4885PTGS1 628/4885PTGS2 1278/4885

“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.