Sugi Predict

Sugi Predict / Compounds / SCHEMBL21758209

SCHEMBL21758209

SCHEMBL21758209

O=C(O)C(Br)C1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ EDNRB P24530 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CYP2D6 P10635 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL19690397 0.79 CYP1A2 (0.59) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL8197048 0.76 CYP1A2 (0.56) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL3136524 0.76 CYP1A2 (0.56) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL7681625 0.76 CYP1A2 (0.56) CYP1A2TSHRHDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL9090573 0.74 CYP1A2 (0.54) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL5032105 0.73 CYP1A2 (0.47) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL5275777 0.72 CYP1A2 (1.00) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL30483907 0.72 CYP1A2 (1.00) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL29015983 0.71 TSHR (0.50) CYP1A2TSHRHDAC3HDAC4HDAC7
SCHEMBL27929601 0.71 CYP1A2 (0.50) CYP1A2TSHRHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884619-B2 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-01-30 — — US disclosed
US-20220055979-A1 Reagents and Methods for Esterification WISCONSIN ALUMNI RESEARCH FOUNDATION 2022-02-24 — — US disclosed
US-11091423-B2 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-08-17 — — US disclosed
US-20200190011-A1 Reagents and Methods for Esterification WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-06-18 — — US disclosed
US-10577303-B1 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-03-03 — — 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 (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-20200190011-A1 Reagents and Methods for Esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885TSHR 293/4885HDAC3 1534/4885
US-11091423-B2 Reagents and methods for esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885TSHR 293/4885HDAC3 1534/4885
US-10577303-B1 Reagents and methods for esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885TSHR 293/4885HDAC3 1534/4885
US-11884619-B2 Reagents and methods for esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885TSHR 293/4885HDAC3 1534/4885
US-20220055979-A1 Reagents and Methods for Esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885TSHR 293/4885HDAC3 1534/4885

“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.