SCHEMBL2358740

SCHEMBL2358740

CC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
IDO1 P14902 1/20 0.43
ENPP3 O14638 1/20 0.41
CA12 O43570 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.38
FUCA1 P04066 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL2360096 0.86 EPHX2 (0.34) EPHX2IDO1P2RX7MEN1KMT2A
SCHEMBL2359771 0.86 LMNA (0.44) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12351017 0.82 IDO1 (0.40) IDO1
SCHEMBL12350998 0.81 GRM4 (0.43) EPHX2IDO1RAB9AP2RX7MEN1
SCHEMBL12351034 0.80 AR (0.48)
SCHEMBL2360243 0.80 EPHX1 (0.45) EPHX2CA9GAANPC1RAB9A
SCHEMBL2359981 0.79 LMNA (0.41) EPHX2SMN1; SMN2P2RX7MEN1KMT2A
SCHEMBL12351010 0.78 KMT2A (0.42) EPHX2ALDH1A1GAANPC1RAB9A
SCHEMBL12440781 0.78 AR (0.46) SMN1; SMN2
SCHEMBL2360156 0.78 KMT2A (0.40) RAB9ASMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 EPHX2 4462/4885IDO1 43/4885ENPP3 3106/4885

“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.