SCHEMBL873980

SCHEMBL873980

COCCOc1cc2c(=O)[nH]c(-c3cccc(OCc4ccccc4)c3)nc2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.48
MMP13 P45452 1/20 0.47
ELANE P08246 1/20 0.46
KDR P35968 2/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP1A2 P05177 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
EGFR P00533 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
SCHEMBL882489 0.87 GUSB (0.45) GUSBKDRPDE3BPDE3A
SCHEMBL11919210 0.81 GUSB (0.50) GUSBELANEPDE3BPDE3ACYP1A1
SCHEMBL874712 0.80 PDGFRB (0.45) ELANEKDRCYP1A2EGFR
SCHEMBL873978 0.80 GUSB (0.60) GUSBMMP13ELANECYP1A1CYP1B1
SCHEMBL874857 0.80 GUSB (0.57) GUSBMMP13
SCHEMBL874164 0.78 GUSB (0.65) GUSBCYP1A1CYP1B1CYP1A2
SCHEMBL259473 0.78 GUSB (0.67) GUSBCYP1A1CYP1B1CYP1A2
SCHEMBL15966710 0.76 MAPT (0.55)
SCHEMBL874165 0.75 GUSB (0.68) GUSBCYP1A1CYP1B1CYP1A2
SCHEMBL20509552 0.75 ELANE (0.58) ELANEPDE3BPDE3A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 WO 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 (6 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GUSB 895/4885MMP13 790/4885ELANE 1634/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GUSB 895/4885MMP13 790/4885ELANE 1634/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GUSB 895/4885MMP13 790/4885ELANE 1634/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 GUSB 895/4885MMP13 790/4885ELANE 1634/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 GUSB 895/4885MMP13 790/4885ELANE 1634/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA GUSB 3229/4885MMP13 605/4885ELANE 3801/4885

“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.