SCHEMBL1550197

SCHEMBL1550197

COc1cnc(Br)c2[nH]cc(C(=O)C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
ECE1 P42892 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL29616351 1.00 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL15164806 0.90 CYP2C9 (0.45) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12215447 0.89 CYP2C9 (0.44) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL10095037 0.88 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL15591952 0.88 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL3933553 0.88 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL19222636 0.86 CYP2C9 (0.42) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12238398 0.85 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL10326256 0.85 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL1472698 0.85 CYP2C9 (0.61) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208980-A1 Fostemsavir Intermediates and Process for the Preparation Thereof NAVINTA, LLC 2024-06-27 US claimed
US-20240208980-A1 Fostemsavir Intermediates and Process for the Preparation Thereof NAVINTA, LLC 2024-06-27 US disclosed
WO-2024137495-A1 FOSTEMSAVIR INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF NAVINTA, LLC (US) 2024-06-27 WO disclosed
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2023-11-16 US disclosed
EP-4192512-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. (US) 2023-06-14 EP disclosed
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
EP-3982993-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2022-04-20 EP disclosed
WO-2022032175-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
WO-2020252393-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020252393-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
US-7501419-B2 4-Squarylpiperazine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-7501419-B2 4-Squarylpiperazine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-7501419-B2 4-Squarylpiperazine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
EP-2013170-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-14 EP disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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-20240208980-A1 Fostemsavir Intermediates and Process for the Preparation Thereof FIP1L1, CYP3A4, FOS CYP2C9 18/4885CYP3A4 2/4885CYP2D6 49/4885
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES DNPEP, NPEPPS, DHFR CYP2C9 2044/4885CYP3A4 1396/4885CYP2D6 738/4885
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 CYP2C9 1983/4885CYP3A4 110/4885CYP2D6 376/4885
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A CYP2C9 1646/4885CYP3A4 1119/4885CYP2D6 1815/4885

“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.