SCHEMBL15946005

SCHEMBL15946005

CCCOc1cccc(NS(=O)(=O)C2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 2/20 0.54
ADRB3 P13945 3/20 0.46
MAP2K4 P45985 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
BRPF1 P55201 1/20 0.43
BRD4 O60885 4/20 0.42
LMNA P02545 1/20 0.42
ADRA1A P35348 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 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
SCHEMBL13379555 0.88 ADRB3 (0.49) CTPS1ADRB3MAP2K4OPRM1DRD2
SCHEMBL3124999 0.88 MAP2K4 (0.44) CTPS1ADRB3MAP2K4OPRM1DRD2
Hydrochloric Acid SCHEMBL3133610 0.86 MAP2K4 (0.43) CTPS1ADRB3MAP2K4OPRM1DRD2
SCHEMBL13355599 0.85 ADRB3 (0.47) CTPS1ADRB3MAP2K4DRD2DRD4
SCHEMBL2150553 0.82 NPC1 (0.49) CTPS1ADRB3MAP2K4DRD2DRD4
SCHEMBL7330204 0.81 TP53 (0.53) CTPS1ADRB3MAP2K4BRD4LMNA
SCHEMBL8545390 0.81 F2 (0.64) ADRB3MAP2K4ADRA1A
SCHEMBL3132409 0.80 CA1 (0.48) CTPS1ADRB3DRD2DRD4DRD3
SCHEMBL8546481 0.79 F2 (0.65) ADRB3MAP2K4ADRA1A
SCHEMBL15946017 0.76 OPRM1 (0.45) MAP2K4OPRM1BRPF1BRD4

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CTPS1 1843/4885ADRB3 763/4885MAP2K4 4864/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CTPS1 1843/4885ADRB3 763/4885MAP2K4 4864/4885

“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.