SCHEMBL2884007

SCHEMBL2884007

CC(C)(NC(=O)O)c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
SSTR4 P31391 3/20 0.38
PDE2A O00408 1/20 0.35
P2RX7 Q99572 1/20 0.35
ACACB O00763 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC1 Q13547 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KIF11 P52732 1/20 0.34
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
TACR3 P29371 1/20 0.33
SRD5A2 P31213 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10921467 0.89 SSTR4 (0.43) SSTR4PDE2AP2RX7ACACBHDAC1
SCHEMBL255681 0.84 ACACB (0.48) TPMTTRPV1SSTR4ACACBCA1
SCHEMBL8446830 0.83 NPC1 (0.48) SSTR4HDAC1NPC1MAPTRAB9A
SCHEMBL22772342 0.82 ESR1 (0.48) SSTR4MAPT
SCHEMBL935057 0.81 SSTR4 (0.53) SSTR4P2RX7HDAC1MAPTADAMTS4
SCHEMBL18740446 0.80 POLB (0.50) TRPV1SSTR4NPC1MAPTRAB9A
SCHEMBL1933209 0.80 PDE2A (0.46) SSTR4PDE2AHDAC1NPC1RAB9A
SCHEMBL529254 0.80 EPHX2 (0.42) SSTR4PDE2AACACBNPC1MAPT
SCHEMBL22807022 0.79 TPMT (0.36) TPMTTRPV1CA1CA2HDAC1
Hydrochloric Acid SCHEMBL4323383 0.79 SSTR4 (0.51) SSTR4P2RX7HDAC1MAPTADAMTS4

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
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TPMT 761/4885TRPV1 1369/4885SSTR4 3808/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TPMT 761/4885TRPV1 1369/4885SSTR4 3808/4885

“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.