SCHEMBL22481978

SCHEMBL22481978

CC(C)(C)OC(=O)N1CCc2onc(C(=O)NCCC(F)(F)F)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.45
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL22621730 0.83 HSP90AA1 (0.43) HSP90AA1HDAC1HDAC6LMNASMN1; SMN2
SCHEMBL2587065 0.83 KDM4E (0.47) HSP90AA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL22615316 0.81 SMN1; SMN2 (0.55) HSP90AA1HDAC6HDAC4KMT2ALMNA
SCHEMBL29425100 0.81 HSP90AA1 (0.41) HSP90AA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL22482230 0.80 ADORA1 (0.39) HDAC1HDAC6MAPT
SCHEMBL22482006 0.80 RBP4 (0.41) GAANPC1RAB9A
SCHEMBL2576275 0.79 ADORA1 (0.46) HSP90AA1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL22481977 0.79 USP2 (0.42) HSP90AA1HDAC1HDAC6KMT2AMEN1
SCHEMBL2582147 0.77 HSP90AA1 (0.58) HSP90AA1KMT2ALMNAMEN1NPSR1
SCHEMBL16217172 0.77 ESR2 (0.43) HSP90AA1MAPK1SMN1; SMN2STAT3ALDH1A1

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 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 (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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 HSP90AA1 1196/4885HDAC1 431/4885HDAC6 247/4885

“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.