SCHEMBL20201848

SCHEMBL20201848

C[C@@H](N)c1ccc(F)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRB3 P13945 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ RECQL P46063 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL20207693 1.00 ADRB1 (0.51) ADRB1ADRA2AADRB3ADRA2BADRA2C
Hydrochloric Acid SCHEMBL20188109 0.98 ADRB1 (0.50) ADRB1ADRA2AADRB3ADRA2BADRA2C
Hydrochloric Acid SCHEMBL22723284 0.98 ADRB1 (0.50) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL30564823 0.83 SHBG (0.53) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL16415822 0.83 SHBG (0.53) TDP1KDM4ERECQLMAPTLMNA
SCHEMBL764880 0.83 TRPA1 (0.59) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL19360100 0.82 KDM4E (0.70) ADRB1ADRA2AADRB3ADRA2BADRA2C
Bromide SCHEMBL23291322 0.82 SHBG (0.51) TDP1KDM4ERECQLMAPTLMNA
Hydrochloric Acid SCHEMBL29062369 0.82 SHBG (0.51) TDP1KDM4ERECQLMAPTLMNA
Hydrochloric Acid SCHEMBL29062371 0.82 SHBG (0.51) TDP1KDM4ERECQLMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 — — US disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — 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 (1 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-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD ADRB1 4633/4885ADRA2A 4802/4885ADRB3 4591/4885

“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.

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