SCHEMBL10160064

SCHEMBL10160064

CC(C)Cc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.58
AKR1C1 Q04828 1/20 0.58
TSHR P16473 2/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR1H4 Q96RI1 1/20 0.48
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL15936058 0.86 AKR1C2 (0.58) AKR1C2AKR1C1TSHRPTGS1PTGS2
SCHEMBL9202628 0.85 ADRA1D (0.48) AKR1C2AKR1C1TSHRPTGS1PTGS2
SCHEMBL1355668 0.84 AKR1C2 (0.51) AKR1C2AKR1C1TSHRPTGS1PTGS2
SCHEMBL28817579 0.83 AKR1C2 (0.46) AKR1C2AKR1C1TSHRPTGS1PTGS2
SCHEMBL10606717 0.82 AKR1C2 (0.43) AKR1C2AKR1C1TSHRCASP1SMN1; SMN2
SCHEMBL10159905 0.81 AKR1C2 (0.49) AKR1C2AKR1C1TSHRNR1H4PTGS1
SCHEMBL4961760 0.81 PPARA (0.55) AKR1C2AKR1C1TSHRPTGS1PTGS2
SCHEMBL11984397 0.80 SMN1; SMN2 (0.57) AKR1C2AKR1C1TSHRCASP1SMN1; SMN2
SCHEMBL31000559 0.80 SLC7A5 (0.57) TSHRCASP1SMN1; SMN2PTGS1PTGS2
SCHEMBL9558139 0.80 TSHR (0.61) TSHRCASP1SMN1; SMN2NR1H4MYC

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-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (5 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 AKR1C2 2661/4885AKR1C1 2642/4885TSHR 4659/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 AKR1C2 2661/4885AKR1C1 2642/4885TSHR 4659/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AKR1C2 2661/4885AKR1C1 2642/4885TSHR 4659/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AKR1C2 2661/4885AKR1C1 2642/4885TSHR 4659/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AKR1C2 2661/4885AKR1C1 2642/4885TSHR 4659/4885

“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.