SCHEMBL20045533

SCHEMBL20045533

CC(C)(C)OC(=O)NC(CCN1CCCCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.56
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
CCR5 P51681 4/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CTSL P07711 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL3182313 0.86 GPR88 (0.49) ROCK2ROCK1CTSSCTSKCTSL
SCHEMBL3182322 0.86 GPR88 (0.49) ROCK2ROCK1CTSSCTSKCTSL
Ethylene SCHEMBL6701227 0.86 UTS2R (0.44) UTS2RROCK2ROCK1CCR5CTSS
SCHEMBL20252510 0.84 CTSK (0.48) ROCK2ROCK1CTSSCTSKCTSL
SCHEMBL5406355 0.83 RAB9A (0.50) CTSSCTSKNPC1
SCHEMBL5404729 0.83 RAB9A (0.50) CTSSCTSKNPC1
SCHEMBL14440789 0.82 CCR5 (0.50) CCR5CTSSCTSK
SCHEMBL13326683 0.82 CCR5 (0.50) CCR5CTSSCTSK
SCHEMBL20045534 0.81 HPGD (0.46) CTSSCTSKCTSL
SCHEMBL5634305 0.81 CTSL (0.51) CCR5CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 UTS2R 1154/4885ROCK2 493/4885ROCK1 475/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 UTS2R 1154/4885ROCK2 493/4885ROCK1 475/4885

“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.