Sugi Predict

Sugi Predict / Compounds / SCHEMBL29816005

SCHEMBL29816005

SCHEMBL29816005

N#Cc1cc(-c2ccccc2F)[nH]c1SC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ MAOA P21397 1/20 0.36
▸ BLVRB P30043 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CDC7 O00311 2/20 0.35
▸ BIRC5 O15392 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL193578 1.00 FFAR1 (0.40) FFAR1CNR2MAOABLVRBHDAC6
SCHEMBL29815753 0.83 CYP11B1 (0.43) FFAR1CYP11B1CYP11B2CDC7BIRC5
SCHEMBL194590 0.83 CYP11B1 (0.43) FFAR1CYP11B1CYP11B2CDC7BIRC5
SCHEMBL19561747 0.79 FFAR1 (0.34) FFAR1CYP11B1CYP11B2CDC7
SCHEMBL21757303 0.73 CYP11B1 (0.38) CYP11B1CYP11B2CDC7HPGDADORA2A
SCHEMBL15986159 0.72 NPC1 (0.34) FFAR1CYP11B1CYP11B2CDC7HPGD
SCHEMBL29519753 0.70 CYP11B2 (0.40) FFAR1MAOACYP11B1CYP11B2HPGD
SCHEMBL193441 0.70 CYP11B2 (0.40) FFAR1MAOACYP11B1CYP11B2HPGD
SCHEMBL193577 0.69 CDC7 (0.40) FFAR1CYP11B1CYP11B2CDC7ADORA2A
SCHEMBL193547 0.66 AR (0.44) FFAR1CDC7BIRC5PIM1HPGD

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-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 — — US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 — — US disclosed
US-11498898-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-15 — — US disclosed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 — — 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 (3 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-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD FFAR1 2063/4885CNR2 3007/4885MAOA 885/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD FFAR1 4024/4885CNR2 1093/4885MAOA 605/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD FFAR1 4024/4885CNR2 1093/4885MAOA 605/4885

“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.