SCHEMBL105072

SCHEMBL105072

Cc1c(NC(=O)c2cc3ccccc3s2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.50
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
F10 P00742 1/20 0.45
TMIGD3 P0DMS9 4/20 0.45
ADORA1 P30542 4/20 0.45
STAT1 P42224 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL2493924 0.82 F10 (0.46) DHPSHDAC1HDAC2HDAC3HDAC4
SCHEMBL29709500 0.81 ALDH1A1 (0.51) STAT1RAB9AALDH1A1LMNABTK
SCHEMBL1068162 0.81 ALDH1A1 (0.51) STAT1RAB9AALDH1A1LMNABTK
SCHEMBL11987771 0.81 ALDH1A1 (0.51) STAT1RAB9AALDH1A1LMNABTK
SCHEMBL26109550 0.79 POLB (0.50) HDAC1HDAC2HDAC3RAB9A
SCHEMBL29598790 0.79 PPARG (0.44) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL23518565 0.78 KMT2A (0.44) RAB9AALDH1A1LMNABACE1
SCHEMBL20293692 0.77 LIPE (0.39) RAB9ABTK
SCHEMBL21929107 0.76 ALDH1A1 (0.44) CASP3ALDH1A1LMNABTK
SCHEMBL30483107 0.76 ALDH1A1 (0.44) CASP3ALDH1A1LMNABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN DHPS 4291/4885HDAC1 1511/4885HDAC2 1890/4885

“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.