SCHEMBL13780397

SCHEMBL13780397

Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](C)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CCR1 P32246 1/20 0.38
TRPV3 Q8NET8 4/20 0.37
STK17B O94768 1/20 0.36
JAK2 O60674 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FFAR1 O14842 1/20 0.35
APP P05067 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL3957943 1.00 AKR1C3 (0.41) AKR1C3AKR1C2CCR1TRPV3STK17B
SCHEMBL3954260 0.84 PDE2A (0.40) AKR1C3AKR1C2CCR1STK17BJAK2
SCHEMBL3955731 0.82 PDE2A (0.48) AKR1C3AKR1C2CCR1STK17BJAK2
SCHEMBL3102048 0.81 PSEN1 (0.42) AKR1C3AKR1C2CCR1TRPV3STK17B
SCHEMBL13780404 0.81 MAPT (0.45) AKR1C3AKR1C2CCR1STK17BJAK2
SCHEMBL3953794 0.81 PDE2A (0.44) AKR1C3AKR1C2CCR1STK17BJAK2
SCHEMBL6385083 0.78 CCR1 (0.39) AKR1C3AKR1C2CCR1TRPV3STK17B
SCHEMBL3954885 0.78 PPARD (0.38) CCR1TRPV3STK17BJAK2PSEN1
SCHEMBL3954123 0.78 JAK2 (0.36) AKR1C3AKR1C2CCR1STK17BJAK2
SCHEMBL2245501 0.77 CCR1 (0.40) CCR1STK17BJAK2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS MANTLO NATHAN BRYAN 2009-07-09 US disclosed
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 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 (1 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-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS PPARA, PPARG, PPARD AKR1C3 798/4885AKR1C2 824/4885CCR1 1210/4885

“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.