SCHEMBL25499809

SCHEMBL25499809

C[C@@]1(C(=O)O)CN(c2cc(Cl)cc(Cl)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
METAP2 P50579 1/20 0.35
NOTUM Q6P988 2/20 0.35
POLB P06746 1/20 0.35
TPMT P51580 1/20 0.34
CCR2 P41597 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
ADAM17 P78536 2/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
MMP2 P08253 1/20 0.33
ADAMTS4 O75173 1/20 0.33
CYP11B2 P19099 1/20 0.33
SPR P35270 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
SCHEMBL23925075 1.00 TSHR (0.45) TSHRRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL23925101 1.00 TSHR (0.45) TSHRRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL23949222 0.82 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2L3MBTL1ALDH1A1METAP2
SCHEMBL23925111 0.79 L3MBTL1 (0.40) TSHRRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL23925155 0.73 GCGR (0.33) TSHRMETAP2
SCHEMBL30158021 0.65 ALDH1A1 (0.41) TSHRSMN1; SMN2L3MBTL1ALDH1A1USP2
SCHEMBL5793355 0.65 TSHR (0.46) TSHRALDH1A1USP2NOTUMTPMT
SCHEMBL6358454 0.65 TSHR (0.46) TSHRALDH1A1USP2NOTUMTPMT
SCHEMBL305455 0.63 HDAC8 (0.50) RAB9AMETAP2
SCHEMBL23948594 0.63 OPRM1 (0.37) TSHRRAB9AL3MBTL1METAP2POLB

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-20230148598-A1 BETA-LACTAMS AND THEIR USE AS HERBICIDES BASF SE (DE) 2023-05-18 US disclosed
US-20230148598-A1 BETA-LACTAMS AND THEIR USE AS HERBICIDES BASF SE (DE) 2023-05-18 US disclosed
EP-4136071-A1 BETA-LACTAMS AND THEIR USE AS HERBICIDES BASF SE (DE) 2023-02-22 EP disclosed
CN-115279735-A Beta-lactams and their use as herbicides 巴斯夫欧洲公司 2022-11-01 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 (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-20230148598-A1 BETA-LACTAMS AND THEIR USE AS HERBICIDES POLL, HDHD5, GLRB TSHR 2808/4885RAB9A 343/4885SMN1; SMN2 4801/4885

“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.