SCHEMBL1690489

SCHEMBL1690489

CC(C)(C)OC(C=O)CC1(C(=O)O)SC(Nc2ccccc2C(F)(F)F)=NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
POLB P06746 4/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
P2RX7 Q99572 1/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 3/20 0.31
GAA P10253 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL1690484 0.90 POLB (0.33) POLBLMNARAB9AKMT2AMAPK1
SCHEMBL4736691 0.79 POLB (0.39) AKR1C3AKR1C2POLBLMNARAB9A
SCHEMBL1605425 0.71 POLB (0.37) POLBLMNARAB9AKMT2AMAPK1
SCHEMBL1605368 0.70 EPHX2 (0.41) POLBRAB9AKMT2AMAPK1EPHX2
SCHEMBL1606239 0.68 KMT2A (0.42) AKR1C3AKR1C2POLBLMNARAB9A
SCHEMBL1606321 0.68 HSD11B1 (0.46) AKR1C3AKR1C2POLBRAB9AKMT2A
SCHEMBL14531551 0.65 KMT2A (0.36) AKR1C3AKR1C2RAB9AKMT2AMAPK1
SCHEMBL3439026 0.64 POLB (0.37) AKR1C3AKR1C2POLBRAB9AKMT2A
SCHEMBL1605509 0.63 KMT2A (0.40) AKR1C3AKR1C2POLBRAB9AKMT2A
SCHEMBL3439025 0.63 POLB (0.37) AKR1C3AKR1C2POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 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-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 AKR1C3 63/4885AKR1C2 62/4885POLB 639/4885

“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.