SCHEMBL10053697

SCHEMBL10053697

CCC(CC(C)C(=O)Nc1cccc(B(O)O)c1)C(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 5/20 0.41
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY2R P49146 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL19248284 0.87 KMT2A (0.46) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL19696800 0.83 HSD17B10 (0.52) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL12355338 0.81 LMNA (0.44) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL18100131 0.78 LMNA (0.40) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL3466415 0.74 SMN1; SMN2 (0.62) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL18100134 0.73 CA1 (0.37) TSHRLMNAKMT2ANLRP3MEN1
SCHEMBL18100130 0.73 CA2 (0.45) TSHRLMNAKMT2ANLRP3MEN1
SCHEMBL18100133 0.71 LMNA (0.35) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL26006919 0.71 TSHR (0.48) TSHRHSD17B10LMNAKMT2ANLRP3
SCHEMBL11750990 0.69 KMT2A (0.59) TSHRHSD17B10LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735416-B2 Antiviral therapies TECHNISCHE UNIVERSITAET CAROLO-WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-05-27 US disclosed
US-20140113923-A1 NOVEL ANTIVIRAL THERAPIES TECHNISCHE UNIVERSITAET CAROLO-WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-04-24 US disclosed
US-8193157-B2 Antiviral therapies K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-06-05 US disclosed
US-20090042793-A1 Novel Antiviral Therapies K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2009-02-12 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-20090042793-A1 Novel Antiviral Therapies HAVCR2, LGALS3BP, MAVS TSHR 3758/4885HSD17B10 754/4885LMNA 1261/4885
US-20140113923-A1 NOVEL ANTIVIRAL THERAPIES HAVCR2, LGALS3BP, LGALS4 TSHR 3327/4885HSD17B10 691/4885LMNA 1932/4885

“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.