SCHEMBL3604464

SCHEMBL3604464

CCSc1ccc(Oc2cc(OCOC)cc(C(=O)OC)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
MMP2 P08253 1/20 0.38
ADAM17 P78536 1/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3609653 0.84 MAPT (0.38) MAPTUSP2MMP2ADAM17RAB9A
SCHEMBL3604657 0.84 CA1 (0.49) MAPTALDH1A1USP2MMP2ADAM17
SCHEMBL3607988 0.82 MAPT (0.51) MAPTALDH1A1USP2RAB9ANPC1
SCHEMBL12487393 0.82 MAPT (0.42) MAPTALDH1A1USP2RAB9ANPC1
SCHEMBL3611844 0.80 ALDH1A1 (0.51) MAPTALDH1A1USP2RAB9ANPC1
SCHEMBL3602828 0.80 PARP15 (0.47) MAPTALDH1A1USP2MMP2RAB9A
SCHEMBL644054 0.80 CA1 (0.48) MAPTALDH1A1USP2RAB9ANPC1
SCHEMBL3600051 0.79 SMN1; SMN2 (0.55) MAPTALDH1A1USP2RAB9ANPC1
SCHEMBL3603132 0.79 GCK (0.48) MMP2
SCHEMBL3604491 0.77 TSHR (0.43) MAPTALDH1A1USP2RAB9ANPC1

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
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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 (2 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK MAPT 4717/4885ALDH1A1 707/4885USP2 3061/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 MAPT 3837/4885ALDH1A1 902/4885USP2 3517/4885

“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.