SCHEMBL642099

SCHEMBL642099

COC(=O)C1CC(c2ccc(S(C)(=O)=O)cc2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.53
F2R P25116 5/20 0.52
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
SLC6A4 P31645 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL642135 0.89 AKR1C3 (0.55) AKR1C3F2RMMP1MMP3MMP7
SCHEMBL1580620 0.85 F2R (0.55) AKR1C3F2RMMP1MMP3MMP7
SCHEMBL640992 0.84 F2R (0.73) F2RSMN1; SMN2TSHRATM
SCHEMBL641606 0.83 F2R (0.63) AKR1C3F2RPKM
SCHEMBL1580678 0.82 F2R (0.57) AKR1C3F2RMMP1MMP3MMP7
SCHEMBL642283 0.82 F2R (0.51) AKR1C3F2RSMN1; SMN2TSHRATM
SCHEMBL642020 0.81 F2R (0.53) AKR1C3F2RPKM
SCHEMBL13808285 0.80 AKR1C3 (0.45) AKR1C3F2RMMP1MMP3MMP7
SCHEMBL641502 0.77 F2R (0.47) AKR1C3F2RTSHRATMPKM
SCHEMBL640620 0.76 F2R (0.52) AKR1C3F2RTSHRATMPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 AKR1C3 1732/4885F2R 698/4885MMP1 3905/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 AKR1C3 1732/4885F2R 698/4885MMP1 3905/4885

“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.