SCHEMBL21597585

SCHEMBL21597585

Cc1nc(C(F)(F)F)ccc1N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CXCR4 P61073 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
CCR2 P41597 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21597758 0.77 ALDH1A1 (0.36) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL2698392 0.76 ALDH1A1 (0.38) LMNAALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL21597423 0.73 ALDH1A1 (0.36) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL27415296 0.71 EGLN2 (0.35) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL3671439 0.70 APLNR (0.44) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL3753306 0.70 ALDH1A1 (0.36) LMNAALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL27810310 0.69 KDM4E (0.42) KDM4ECXCR4LMNAGAANPC1
SCHEMBL1584056 0.69 NOS3 (0.44) KDM4ECXCR4LMNAGAANPC1
SCHEMBL16013961 0.68 P2RX7 (0.37) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL29717694 0.68 P2RX7 (0.37) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 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 (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-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 KDM4E 3965/4885CXCR4 2690/4885LMNA 4878/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 KDM4E 3965/4885CXCR4 2690/4885LMNA 4878/4885

“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.