SCHEMBL2811985

SCHEMBL2811985

CC(C)N(C)c1cc(C(=O)O)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.49
KDM4C Q9H3R0 8/20 0.49
KDM4A O75164 7/20 0.49
KDM5C P41229 6/20 0.49
KDM5B Q9UGL1 6/20 0.49
KDM4E B2RXH2 4/20 0.49
KDM2A Q9Y2K7 4/20 0.49
KDM3A Q9Y4C1 4/20 0.49
KDM5A P29375 4/20 0.49
KDM6B O15054 3/20 0.49
TET3 O43151 1/20 0.49
BBOX1 O75936 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ASPH Q12797 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
KDM7A Q6ZMT4 1/20 0.49
KDM8 Q8N371 1/20 0.49

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
SCHEMBL30505322 1.00 PROKR1 (0.49) PROKR1KDM4CKDM4AKDM5CKDM5B
SCHEMBL30228066 0.85 PROKR1 (0.48) PROKR1KDM4CKDM5CKDM5BKDM5A
SCHEMBL27244621 0.85 PROKR1 (0.48) PROKR1KDM5CKDM5BKDM5AALDH1A1
SCHEMBL11340185 0.82 KDM4E (0.55) PROKR1KDM4CKDM4AKDM5CKDM5B
SCHEMBL3350177 0.81 KDM4C (0.44) KDM4CKDM4AKDM5CKDM5BKDM4E
Hydrochloric Acid SCHEMBL15973575 0.81 KDM4E (0.53) PROKR1KDM4CKDM4AKDM5CKDM5B
SCHEMBL24473745 0.77 KDM5B (0.50) PROKR1KDM4CKDM4AKDM5CKDM5B
SCHEMBL6398480 0.75 KDM4C (0.49) PROKR1KDM4CKDM4AKDM5CKDM5B
SCHEMBL3352698 0.75 HCAR3 (0.60) KDM4CKDM4AKDM5CKDM5BKDM4E
SCHEMBL2816763 0.75 KDM5B (0.41) KDM4CKDM4AKDM5CKDM5BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-116457352-A Aryloxazolo spiro derivatives for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-18 CN disclosed
WO-2022112140-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 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-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 PROKR1 951/4885KDM4C 2232/4885KDM4A 2119/4885
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP1B1 PROKR1 2146/4885KDM4C 1182/4885KDM4A 817/4885

“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.