Sugi Predict

Sugi Predict / Compounds / SCHEMBL23908495

SCHEMBL23908495

SCHEMBL23908495

CC(C)(C)c1c(F)ccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ DTYMK P23919 1/20 0.34

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
SCHEMBL17558407 0.89 EPHX2 (0.37) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL8545787 0.88 L3MBTL1 (0.39) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL27783720 0.78 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL6204506 0.78 CES2 (0.45) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL23039308 0.77 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL543918 0.77 TSHR (0.51) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL6867546 0.76 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL6867541 0.76 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL9671806 0.76 TSHR (0.44) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL3758271 0.76 TSHR (0.44) ALDH1A1TDP1TSHRCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969472-B2 Tropomyosin receptor kinase (TRK) degradation compounds and methods of use CULLGEN (SHANGHAI), INC. (CN) 2024-04-30 — — US disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 — — CN disclosed
US-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2021-10-14 — — US disclosed
CN-112479876-A Oxazacycloheptane spiro-compounds, intermediates and preparation method thereof 苏州亚盛药业有限公司 2021-03-12 — — CN 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-11969472-B2 Tropomyosin receptor kinase (TRK) degradation compounds and methods of use MUSK, ERBB2, NTRK1 ALDH1A1 4113/4885TDP1 105/4885TSHR 652/4885
US-20210315999-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 ALDH1A1 4113/4885TDP1 105/4885TSHR 652/4885

“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.