SCHEMBL5018750

SCHEMBL5018750

CC(C)Cc1cccc(-c2cccs2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.62
PSMB5 P28074 2/20 0.48
LTA4H P09960 1/20 0.47
FFAR1 O14842 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HPGDS O60760 1/20 0.41
CETP P11597 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL5018819 0.84 LTA4H (0.61) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL20281414 0.83 PRMT6 (0.55) PRMT6PSMB5LTA4HFFAR1PPARG
SCHEMBL158066 0.81 PRMT6 (0.68) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL28161128 0.80 CTSS (0.48)
SCHEMBL13412799 0.80 PRMT6 (0.57) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL6601600 0.78 PRMT6 (0.64) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL21408614 0.78 PRMT6 (0.64) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL7499623 0.77 PRMT6 (0.63) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL4171352 0.77 PRMT6 (0.63) PRMT6PSMB5LTA4HFFAR1CYP17A1
SCHEMBL477487 0.77 PRMT6 (0.63) PRMT6PSMB5LTA4HFFAR1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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 (4 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 PRMT6 484/4885PSMB5 2645/4885LTA4H 1541/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 PRMT6 4419/4885PSMB5 865/4885LTA4H 3098/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 PRMT6 3445/4885PSMB5 2758/4885LTA4H 1410/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 PRMT6 484/4885PSMB5 2645/4885LTA4H 1541/4885

“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.