SCHEMBL96822

SCHEMBL96822

O=[C]c1ccc(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
TRPV4 Q9HBA0 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KMT2A Q03164 2/20 0.33
AKR1B1 P15121 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CASP6 P55212 1/20 0.32
CYP11B1 P15538 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CES2 O00748 1/20 0.31

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
SCHEMBL6212276 0.82 PTGDR2 (0.36) HPGDPTGDR2ALDH1A1CES2CES1
SCHEMBL9996500 0.77 CYP11B2 (0.36) CYP11B2HPGDPTGDR2TRPV4NISCH
SCHEMBL2784467 0.77 CYP11B2 (0.36) CYP11B2HPGDPTGDR2TRPV4NISCH
SCHEMBL221378 0.77 TRPV4 (0.57) CYP11B2TRPV4CYP11B1
SCHEMBL30440135 0.77 CYP11B2 (0.36) CYP11B2HPGDPTGDR2TRPV4NISCH
SCHEMBL6023919 0.77 SOS1 (0.48)
SCHEMBL96914 0.76 CES2 (0.43) CYP11B2PTGDR2TRPV4CYP11B1ALDH1A1
SCHEMBL95434 0.76 TP53 (0.48) ALDH1A1
SCHEMBL102884 0.74 TRPV4 (0.34) TRPV4
SCHEMBL7022727 0.73 ALDH1A1 (0.36) TRPV4KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US claimed
EP-3749365-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION Ohio State Innovation Foundation (US) 2020-12-16 EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
WO-2019148194-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 WO claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
CN-106414480-A POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS 莫纳什大学 2017-02-15 CN claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US disclosed
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 US disclosed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US disclosed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
CN-1233180-A Treatment of the common cold or allergic rhinitis LILLY CO ELI (US) 1999-10-27 CN disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
EP-0093976-A1 2,4-Dihalogenbenzoyl ureas and thioureas, processes for their preparation and their use as pesticides BAYER AG (DE) 1983-11-16 EP 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 (5 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-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 CYP11B2 36/4885HPGD 97/4885PTGDR2 213/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 CYP11B2 3328/4885HPGD 4151/4885PTGDR2 4295/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 CYP11B2 3315/4885HPGD 4160/4885PTGDR2 4304/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 CYP11B2 3315/4885HPGD 4160/4885PTGDR2 4304/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC CYP11B2 4689/4885HPGD 2329/4885PTGDR2 4023/4885

“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.