SCHEMBL10092529

SCHEMBL10092529

Cc1ccc(-c2nccs2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.56
CCR5 P51681 1/20 0.56
CCR8 P51685 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
SRC P12931 4/20 0.48
SYK P43405 4/20 0.48
RAB9A P51151 2/20 0.46
CYP2A6 P11509 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
ZAP70 P43403 3/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
PDPK1 O15530 1/20 0.42
METAP2 P50579 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL27923317 0.77 HSP90AA1 (0.53) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL1773747 0.77 RAB9A (0.46) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL10161754 0.77 ADRB2 (0.46) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL12924824 0.77 SRC (0.48) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL29462063 0.77 SRC (0.48) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL13222359 0.77 RAB9A (0.42) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL12680211 0.77 RAB9A (0.42) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL30511083 0.74
SCHEMBL12301362 0.74 SPHK2 (0.46) SRCSYKRAB9ACYP2A6HSP90AA1
SCHEMBL12896118 0.74 RAB9A (0.41) SRCSYKRAB9ACYP2A6HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (7 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 CCR1 389/4885CCR5 266/4885CCR8 631/4885
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 CCR1 823/4885CCR5 250/4885CCR8 640/4885
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 CCR1 823/4885CCR5 250/4885CCR8 640/4885
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CCR1 731/4885CCR5 336/4885CCR8 946/4885
US-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CCR1 2840/4885CCR5 476/4885CCR8 2073/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CCR1 731/4885CCR5 336/4885CCR8 946/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CCR1 967/4885CCR5 463/4885CCR8 1037/4885

“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.